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Details

Stereochemistry RACEMIC
Molecular Formula C17H21NO.ClH
Molecular Weight 291.816
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Methoxy-?-methyl-N-(phenylmethyl)benzeneethanamine hydrochloride

SMILES

Cl.COC1=CC=C(CC(C)NCC2=CC=CC=C2)C=C1

InChI

InChIKey=SUSBWRIJXPEFFJ-UHFFFAOYSA-N
InChI=1S/C17H21NO.ClH/c1-14(18-13-16-6-4-3-5-7-16)12-15-8-10-17(19-2)11-9-15;/h3-11,14,18H,12-13H2,1-2H3;1H

HIDE SMILES / InChI

Molecular Formula C17H21NO
Molecular Weight 255.3547
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 16:06:15 GMT 2025
Edited
by admin
on Wed Apr 02 16:06:15 GMT 2025
Record UNII
ZHJ7LE5LLG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Benzeneethanamine, 4-methoxy-?-methyl-N-(phenylmethyl)-, hydrochloride (1:1)
Preferred Name English
4-Methoxy-?-methyl-N-(phenylmethyl)benzeneethanamine hydrochloride
Systematic Name English
Code System Code Type Description
FDA UNII
ZHJ7LE5LLG
Created by admin on Wed Apr 02 16:06:15 GMT 2025 , Edited by admin on Wed Apr 02 16:06:15 GMT 2025
PRIMARY
PUBCHEM
3029776
Created by admin on Wed Apr 02 16:06:15 GMT 2025 , Edited by admin on Wed Apr 02 16:06:15 GMT 2025
PRIMARY
CAS
1049695-95-5
Created by admin on Wed Apr 02 16:06:15 GMT 2025 , Edited by admin on Wed Apr 02 16:06:15 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE