3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride

C17H21ClN2O — CID 163408499

IUPAC3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride
SMILESCc1ccccc1-c1ccc(CNC(=O)CCN)cc1.Cl
InChIInChI=1S/C17H20N2O.ClH/c1-13-4-2-3-5-16(13)15-8-6-14(7-9-15)12-19-17(20)10-11-18;/h2-9H,10-12,18H2,1H3,(H,19,20);1H
InChIKeyOJVZFKYGTPVUPM-UHFFFAOYSA-N
MW304.82 g/mol
LogP3.05
Rot. Bonds5

About 3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride

3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride (PubChem CID 163408499) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride
PubChem CID163408499
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride
SMILESCc1ccccc1-c1ccc(CNC(=O)CCN)cc1.Cl
InChIInChI=1S/C17H20N2O.ClH/c1-13-4-2-3-5-16(13)15-8-6-14(7-9-15)12-19-17(20)10-11-18;/h2-9H,10-12,18H2,1H3,(H,19,20);1H
InChIKeyOJVZFKYGTPVUPM-UHFFFAOYSA-N
XLogP3.05
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride 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

3-amino-N-[[4-(2-methylpropyl)phenyl]methyl]propanamide
CID 98783951
(2S)-2-amino-3-[4-(2-methylphenyl)phenyl]propanoic acid;hydrochloride
CID 131883874
3-amino-N-[[4-(3-chlorophenyl)phenyl]methyl]propanamide;hydrochloride
CID 163408497
N-[4-[(3-aminopropanoylamino)methyl]phenyl]butanamide
CID 119289487
N-[[4-(2-aminophenyl)phenyl]methyl]acetamide
CID 171795259
N-[(4-methylphenyl)methyl]butanamide
CID 835678
N-[[4-(2-cyanophenyl)phenyl]methyl]-4-oxopentanamide
CID 141078300
4-amino-N-[[4-(hydroxymethyl)phenyl]methyl]butanamide
CID 107231147
4-amino-N-[(4-methylphenyl)methyl]pentanamide;hydrochloride
CID 120558836
2-N-[[4-(2-methylphenyl)phenyl]methyl]-1-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]cyclopentane-1,2-dicarboxamide
CID 75009757
3-amino-N-[[3-(aminomethyl)phenyl]methyl]propanamide;dihydrochloride
CID 138011978
N-benzyl-3-[(4-methylphenyl)methylamino]propanamide
CID 109018747

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride (CID 163408499) is 3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride is Cc1ccccc1-c1ccc(CNC(=O)CCN)cc1.Cl.
What is the InChIKey of 3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride?
The InChIKey is OJVZFKYGTPVUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O.ClH/c1-13-4-2-3-5-16(13)15-8-6-14(7-9-15)12-19-17(20)10-11-18;/h2-9H,10-12,18H2,1H3,(H,19,20);1H.
What are the key properties of 3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride?
3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(2-methylphenyl)phenyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 163408499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).