2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide

C14H22N2O2 — CID 62081174

IUPAC2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide
SMILESCOc1cccc(CC(CN)C(=O)NC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)16-14(17)12(9-15)7-11-5-4-6-13(8-11)18-3/h4-6,8,10,12H,7,9,15H2,1-3H3,(H,16,17)
InChIKeyFARMLUCNLLGNGB-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.34
Rot. Bonds6

About 2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide

2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide (PubChem CID 62081174) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide
PubChem CID62081174
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide
SMILESCOc1cccc(CC(CN)C(=O)NC(C)C)c1
InChIInChI=1S/C14H22N2O2/c1-10(2)16-14(17)12(9-15)7-11-5-4-6-13(8-11)18-3/h4-6,8,10,12H,7,9,15H2,1-3H3,(H,16,17)
InChIKeyFARMLUCNLLGNGB-UHFFFAOYSA-N
XLogP1.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide 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

2-(aminomethyl)-3-(3-fluoro-4-methoxyphenyl)-N-propan-2-ylpropanamide
CID 65096529
(3-methoxyphenyl)methyl N-propan-2-ylcarbamate
CID 23548690
N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate
CID 60872757
2-(aminomethyl)-3-(3,5-dimethoxyphenyl)-N-methylpropanamide
CID 62097345
2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide
CID 62121929
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
ethyl (2R)-2-[(3-methoxyphenyl)methyl]-3-(methylamino)propanoate
CID 25418419
methyl 2-(aminomethyl)-3-[3-(trifluoromethoxy)phenyl]propanoate
CID 107104840
tert-butyl N-[1-amino-3-(3-methoxyphenyl)propan-2-yl]carbamate
CID 84730445
(2S)-3-(3-methoxyphenyl)-2-(5-methyltetrazol-1-yl)-N-propan-2-ylpropanamide
CID 94027742
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide (CID 62081174) is 2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide is COc1cccc(CC(CN)C(=O)NC(C)C)c1.
What is the InChIKey of 2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide?
The InChIKey is FARMLUCNLLGNGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)16-14(17)12(9-15)7-11-5-4-6-13(8-11)18-3/h4-6,8,10,12H,7,9,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide?
2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 62081174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).