2-(2-methoxyphenyl)-4-phenylbutan-2-amine

C17H21NO — CID 54918972

IUPAC2-(2-methoxyphenyl)-4-phenylbutan-2-amine
SMILESCOc1ccccc1C(C)(N)CCc1ccccc1
InChIInChI=1S/C17H21NO/c1-17(18,13-12-14-8-4-3-5-9-14)15-10-6-7-11-16(15)19-2/h3-11H,12-13,18H2,1-2H3
InChIKeyDDTWHFJYQFFTON-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.50
Rot. Bonds5

About 2-(2-methoxyphenyl)-4-phenylbutan-2-amine

2-(2-methoxyphenyl)-4-phenylbutan-2-amine (PubChem CID 54918972) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-4-phenylbutan-2-amine.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-4-phenylbutan-2-amine
PubChem CID54918972
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name2-(2-methoxyphenyl)-4-phenylbutan-2-amine
SMILESCOc1ccccc1C(C)(N)CCc1ccccc1
InChIInChI=1S/C17H21NO/c1-17(18,13-12-14-8-4-3-5-9-14)15-10-6-7-11-16(15)19-2/h3-11H,12-13,18H2,1-2H3
InChIKeyDDTWHFJYQFFTON-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-methoxyphenyl)-4-phenylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-2-(2-methoxyphenyl)propan-1-ol
CID 55277390
2-(4-methylphenyl)-4-phenylbutan-2-amine
CID 60797705
2-(2-chlorophenyl)-5-phenylpentan-2-amine
CID 62621449
(2S)-2-(2-methoxyphenyl)butan-2-ol
CID 93303591
1-(5-chloro-2-methoxyphenyl)-2-(2-methoxyphenyl)propan-2-amine
CID 62620710
2-fluoro-2-(2-methoxyphenyl)propan-1-amine
CID 84718782
2-(2-fluoro-3-methoxyphenyl)-4-methoxybutan-2-amine
CID 82808256
1-methoxy-2-(2-methoxypropan-2-yl)benzene
CID 58091763
2-(benzylamino)-2-(2-methoxyphenyl)propan-1-ol
CID 61044896
1-N-[2-(2-methoxyphenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136375
2-amino-3-hydroxy-2-(2-methoxyphenyl)propanoic acid
CID 22456431
1-cycloheptyl-1-(2-methoxyphenyl)ethanamine
CID 82932355

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-4-phenylbutan-2-amine?
The IUPAC name of 2-(2-methoxyphenyl)-4-phenylbutan-2-amine (CID 54918972) is 2-(2-methoxyphenyl)-4-phenylbutan-2-amine.
What is the SMILES notation for 2-(2-methoxyphenyl)-4-phenylbutan-2-amine?
The canonical SMILES for 2-(2-methoxyphenyl)-4-phenylbutan-2-amine is COc1ccccc1C(C)(N)CCc1ccccc1.
What is the InChIKey of 2-(2-methoxyphenyl)-4-phenylbutan-2-amine?
The InChIKey is DDTWHFJYQFFTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-17(18,13-12-14-8-4-3-5-9-14)15-10-6-7-11-16(15)19-2/h3-11H,12-13,18H2,1-2H3.
What are the key properties of 2-(2-methoxyphenyl)-4-phenylbutan-2-amine?
2-(2-methoxyphenyl)-4-phenylbutan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-4-phenylbutan-2-amine is sourced from PubChem (CID 54918972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).