N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide

C13H20N2O — CID 43248598

IUPACN-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)Cc1cccc(CN)c1
InChIInChI=1S/C13H20N2O/c1-10(2)13(16)15(3)9-12-6-4-5-11(7-12)8-14/h4-7,10H,8-9,14H2,1-3H3
InChIKeyYLSJHCJUTRMVIY-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.76
Rot. Bonds4

About N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide

N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide (PubChem CID 43248598) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
PubChem CID43248598
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC NameN-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)Cc1cccc(CN)c1
InChIInChI=1S/C13H20N2O/c1-10(2)13(16)15(3)9-12-6-4-5-11(7-12)8-14/h4-7,10H,8-9,14H2,1-3H3
InChIKeyYLSJHCJUTRMVIY-UHFFFAOYSA-N
XLogP1.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide 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-[[4-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 60921311
N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide
CID 43248665
N-[[3-(aminomethyl)phenyl]methyl]-N,4-dimethylpentanamide
CID 43248613
N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide
CID 43248602
N-[[3-(aminomethyl)phenyl]methyl]-2-(2-hydroxyphenyl)-N-methylacetamide
CID 80743611
N-[[3-(aminomethyl)phenyl]methyl]-2-methoxy-N,2-dimethylpropanamide
CID 103017302
N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
CID 43248673
2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide
CID 43248742
3-amino-N-[(3-hydroxyphenyl)methyl]-N,2-dimethylbutanamide
CID 113416227
N-[[3-(aminomethyl)phenyl]methyl]-2-fluoro-N-methylbenzamide
CID 43248666
3-amino-2-hydroxy-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 115180689
(2S)-2-amino-N-[(3-hydroxyphenyl)methyl]-N,3-dimethylbutanamide
CID 61164005

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide (CID 43248598) is N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)Cc1cccc(CN)c1.
What is the InChIKey of N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide?
The InChIKey is YLSJHCJUTRMVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)13(16)15(3)9-12-6-4-5-11(7-12)8-14/h4-7,10H,8-9,14H2,1-3H3.
What are the key properties of N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide?
N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide has a molecular weight of 220.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 43248598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).