N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine

C13H14ClN3 — CID 79841413

IUPACN-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine
SMILESCN(Cc1ccccc1N)c1ccncc1Cl
InChIInChI=1S/C13H14ClN3/c1-17(13-6-7-16-8-11(13)14)9-10-4-2-3-5-12(10)15/h2-8H,9,15H2,1H3
InChIKeyJZXZGAFIZKMRJI-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.95
Rot. Bonds3

About N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine

N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine (PubChem CID 79841413) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine
PubChem CID79841413
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC NameN-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine
SMILESCN(Cc1ccccc1N)c1ccncc1Cl
InChIInChI=1S/C13H14ClN3/c1-17(13-6-7-16-8-11(13)14)9-10-4-2-3-5-12(10)15/h2-8H,9,15H2,1H3
InChIKeyJZXZGAFIZKMRJI-UHFFFAOYSA-N
XLogP2.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine (CID 79841413) is N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine is CN(Cc1ccccc1N)c1ccncc1Cl.
What is the InChIKey of N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine?
The InChIKey is JZXZGAFIZKMRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-17(13-6-7-16-8-11(13)14)9-10-4-2-3-5-12(10)15/h2-8H,9,15H2,1H3.
What are the key properties of N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine?
N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine has a molecular weight of 247.73 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-3-chloro-N-methylpyridin-4-amine is sourced from PubChem (CID 79841413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).