N-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine

C13H13Cl2N3 — CID 55141369

IUPACN-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine
SMILESCN(c1cccc(CN)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3/c1-18(11-4-2-3-9(5-11)7-16)13-12(15)6-10(14)8-17-13/h2-6,8H,7,16H2,1H3
InChIKeyMPFWKNZHZCPOEH-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.62
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine

N-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine (PubChem CID 55141369) has the molecular formula C13H13Cl2N3 and a molecular weight of 282.17 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine
PubChem CID55141369
Molecular FormulaC13H13Cl2N3
Molecular Weight282.17 g/mol
Exact Mass281.05
IUPAC NameN-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine
SMILESCN(c1cccc(CN)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C13H13Cl2N3/c1-18(11-4-2-3-9(5-11)7-16)13-12(15)6-10(14)8-17-13/h2-6,8H,7,16H2,1H3
InChIKeyMPFWKNZHZCPOEH-UHFFFAOYSA-N
XLogP3.62
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine 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-[3-(aminomethyl)phenyl]-3-chloro-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 62970817
N-[3-(aminomethyl)phenyl]-3-chloro-N,4-dimethylaniline
CID 117029123
3,5-dichloro-N-(4-methoxyphenyl)-N-methylpyridin-2-amine
CID 70584896
3-[3-(aminomethyl)-N-methylanilino]phenol
CID 107733668
N-[3-(aminomethyl)phenyl]-N-methylthieno[3,2-c]pyridin-4-amine
CID 62971692
5-(aminomethyl)-N,3-dimethyl-N-phenylpyridin-2-amine
CID 79884611
3-(aminomethyl)-N-(4-ethoxyphenyl)-N-methylaniline
CID 117029128
5-(aminomethyl)-3-chloro-N-methyl-N-[(3-methylphenyl)methyl]pyridin-2-amine
CID 62285878
3-[[(3,5-dichloro-2-pyridinyl)-methylamino]methyl]benzonitrile
CID 55025705
3-(aminomethyl)-N-(4-tert-butylphenyl)-N-methylaniline
CID 117029116
5-bromo-3-chloro-N-methyl-N-phenylpyridin-2-amine
CID 103583115
N-[(4-aminophenyl)methyl]-3,5-dichloro-N-methylpyridin-2-amine
CID 60875712

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine (CID 55141369) is N-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine is CN(c1cccc(CN)c1)c1ncc(Cl)cc1Cl.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine?
The InChIKey is MPFWKNZHZCPOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3/c1-18(11-4-2-3-9(5-11)7-16)13-12(15)6-10(14)8-17-13/h2-6,8H,7,16H2,1H3.
What are the key properties of N-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine?
N-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine has a molecular weight of 282.17 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3,5-dichloro-N-methylpyridin-2-amine is sourced from PubChem (CID 55141369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).