3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline

C17H22N2O2 — CID 62971006

IUPAC3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline
SMILESCOc1ccc(CN(C)c2cccc(CN)c2)cc1OC
InChIInChI=1S/C17H22N2O2/c1-19(15-6-4-5-13(9-15)11-18)12-14-7-8-16(20-2)17(10-14)21-3/h4-10H,11-12,18H2,1-3H3
InChIKeyXLDOARKSZMYOMP-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.80
Rot. Bonds6

About 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline

3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline (PubChem CID 62971006) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline
PubChem CID62971006
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline
SMILESCOc1ccc(CN(C)c2cccc(CN)c2)cc1OC
InChIInChI=1S/C17H22N2O2/c1-19(15-6-4-5-13(9-15)11-18)12-14-7-8-16(20-2)17(10-14)21-3/h4-10H,11-12,18H2,1-3H3
InChIKeyXLDOARKSZMYOMP-UHFFFAOYSA-N
XLogP2.80
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline 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

4-(aminomethyl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methylaniline
CID 43275566
N-[(3,4-dimethoxyphenyl)methyl]-N-methylpyridin-4-amine
CID 154730251
3-(aminomethyl)-N-[(5-fluoro-3-pyridinyl)methyl]-N-methylaniline
CID 114084177
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,3,5-trimethylaniline
CID 62018373
N-[[5-(aminomethyl)-2-methoxyphenyl]methyl]-N,4-dimethylaniline
CID 62018742
[4-methoxy-3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]phenyl]methanamine
CID 62018363
N'-[(3,4-dimethoxyphenyl)methyl]-N'-methylethane-1,2-diamine
CID 43373768
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-N,3,5-trimethylaniline
CID 106785440
N-[[4-(aminomethyl)-3-methoxyphenyl]methyl]-4-ethyl-N-methylaniline
CID 106785439
4-(aminomethyl)-N-[(3-chlorophenyl)methyl]-N-methylaniline
CID 61413469
(4-methoxy-3-phenylmethoxyphenyl)methanamine
CID 12649335
N-bromo-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 54140133

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline?
The IUPAC name of 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline (CID 62971006) is 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline.
What is the SMILES notation for 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline?
The canonical SMILES for 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline is COc1ccc(CN(C)c2cccc(CN)c2)cc1OC.
What is the InChIKey of 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline?
The InChIKey is XLDOARKSZMYOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-19(15-6-4-5-13(9-15)11-18)12-14-7-8-16(20-2)17(10-14)21-3/h4-10H,11-12,18H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline?
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline has a molecular weight of 286.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylaniline is sourced from PubChem (CID 62971006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).