2-chloro-4-methyl-N-propan-2-ylpyridin-3-amine

C9H13ClN2 — CID 65490888

IUPAC2-chloro-4-methyl-N-propan-2-ylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC(C)C
InChIInChI=1S/C9H13ClN2/c1-6(2)12-8-7(3)4-5-11-9(8)10/h4-6,12H,1-3H3
InChIKeyCNTRYEOXLFVXPG-UHFFFAOYSA-N
MW184.67 g/mol
LogP2.86
Rot. Bonds2

About 2-chloro-4-methyl-N-propan-2-ylpyridin-3-amine

2-chloro-4-methyl-N-propan-2-ylpyridin-3-amine (PubChem CID 65490888) has the molecular formula C9H13ClN2 and a molecular weight of 184.67 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-propan-2-ylpyridin-3-amine
PubChem CID65490888
Molecular FormulaC9H13ClN2
Molecular Weight184.67 g/mol
Exact Mass184.08
IUPAC Name2-chloro-4-methyl-N-propan-2-ylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC(C)C
InChIInChI=1S/C9H13ClN2/c1-6(2)12-8-7(3)4-5-11-9(8)10/h4-6,12H,1-3H3
InChIKeyCNTRYEOXLFVXPG-UHFFFAOYSA-N
XLogP2.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.67
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-4-methyl-N-propan-2-ylpyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-propan-2-ylpyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-propan-2-ylpyridin-3-amine (CID 65490888) is 2-chloro-4-methyl-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-propan-2-ylpyridin-3-amine is Cc1ccnc(Cl)c1NC(C)C.
What is the InChIKey of 2-chloro-4-methyl-N-propan-2-ylpyridin-3-amine?
The InChIKey is CNTRYEOXLFVXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN2/c1-6(2)12-8-7(3)4-5-11-9(8)10/h4-6,12H,1-3H3.
What are the key properties of 2-chloro-4-methyl-N-propan-2-ylpyridin-3-amine?
2-chloro-4-methyl-N-propan-2-ylpyridin-3-amine has a molecular weight of 184.67 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 65490888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).