N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide

C18H22N2O — CID 62950258

IUPACN-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NCc2ccccc2CN)c1
InChIInChI=1S/C18H22N2O/c1-14-5-4-6-15(11-14)9-10-18(21)20-13-17-8-3-2-7-16(17)12-19/h2-8,11H,9-10,12-13,19H2,1H3,(H,20,21)
InChIKeyFWUJIXIXUPMGAR-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.70
Rot. Bonds6

About N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide

N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide (PubChem CID 62950258) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide
PubChem CID62950258
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)NCc2ccccc2CN)c1
InChIInChI=1S/C18H22N2O/c1-14-5-4-6-15(11-14)9-10-18(21)20-13-17-8-3-2-7-16(17)12-19/h2-8,11H,9-10,12-13,19H2,1H3,(H,20,21)
InChIKeyFWUJIXIXUPMGAR-UHFFFAOYSA-N
XLogP2.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide 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

N-[(2-ethoxyphenyl)methyl]-3-(3-methylphenyl)propanamide
CID 60565788
3-(2-fluorophenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 33280259
2-[2-(aminomethyl)phenoxy]-N-[(3-methylphenyl)methyl]acetamide
CID 60903946
N-(3-aminopropyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119404890
3-(2-aminophenyl)-N-[2-(3-methylphenyl)ethyl]propanamide
CID 62314321
N-[(2-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methylphenyl)propanamide
CID 110714644
N-(3-aminobutyl)-3-(3-methylphenyl)propanamide;hydrochloride
CID 119494888
2-hydroxy-3-[3-(3-methylphenyl)propanoylamino]propanamide
CID 114152434
N-[2-(methylamino)propyl]-3-(3-methylphenyl)propanamide;hydrochloride
CID 120832068
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019580
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
N-(3-bromopropyl)-3-(3-methylphenyl)propanamide
CID 62365535

Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide?
The IUPAC name of N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide (CID 62950258) is N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)NCc2ccccc2CN)c1.
What is the InChIKey of N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide?
The InChIKey is FWUJIXIXUPMGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-14-5-4-6-15(11-14)9-10-18(21)20-13-17-8-3-2-7-16(17)12-19/h2-8,11H,9-10,12-13,19H2,1H3,(H,20,21).
What are the key properties of N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide?
N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide has a molecular weight of 282.39 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)phenyl]methyl]-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 62950258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).