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

C17H20N2O — CID 62365496

IUPACN-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C17H20N2O/c1-13-5-2-3-7-15(13)9-10-17(20)19-16-8-4-6-14(11-16)12-18/h2-8,11H,9-10,12,18H2,1H3,(H,19,20)
InChIKeyCEWRJRCZDRIUHY-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.03
Rot. Bonds5

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

N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide (PubChem CID 62365496) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide
PubChem CID62365496
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)Nc1cccc(CN)c1
InChIInChI=1S/C17H20N2O/c1-13-5-2-3-7-15(13)9-10-17(20)19-16-8-4-6-14(11-16)12-18/h2-8,11H,9-10,12,18H2,1H3,(H,19,20)
InChIKeyCEWRJRCZDRIUHY-UHFFFAOYSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(aminomethyl)anilino]-4-oxobutanoic acid
CID 110481799
3-(2-methylphenyl)-N-[3-(oxan-4-ylsulfanylmethyl)phenyl]propanamide
CID 86961556
N-[3-(aminomethyl)phenyl]-3-methylsulfanylpropanamide
CID 63254387
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
N-[3-(chloromethyl)phenyl]-2-(2-methylphenyl)acetamide
CID 113270900
N-(3-fluoro-4-hydroxyphenyl)-3-(2-methylphenyl)propanamide
CID 64781649
tert-butyl N-[2-[3-[[3-(2-methylphenyl)propanoylamino]methyl]anilino]-2-oxoethyl]carbamate
CID 108918569
N-[3-(aminomethyl)phenyl]-3-[[2-(dimethylamino)-2-oxoethyl]-methylamino]propanamide
CID 43374708
3-(2-methylphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 110720294
2-[3-(aminomethyl)phenyl]-N-phenylacetamide
CID 154574877
N'-(3-aminopropanoyl)-3-(2-methylphenyl)propanehydrazide
CID 94268169
N-[3-(aminomethyl)phenyl]pent-4-enamide
CID 63254423

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide (CID 62365496) is N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)Nc1cccc(CN)c1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide?
The InChIKey is CEWRJRCZDRIUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-13-5-2-3-7-15(13)9-10-17(20)19-16-8-4-6-14(11-16)12-18/h2-8,11H,9-10,12,18H2,1H3,(H,19,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide?
N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide has a molecular weight of 268.36 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 62365496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).