4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine

C17H21ClN2 — CID 83165583

IUPAC4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine
SMILESCC(CC(C)(C)c1ccccc1)Nc1cnccc1Cl
InChIInChI=1S/C17H21ClN2/c1-13(20-16-12-19-10-9-15(16)18)11-17(2,3)14-7-5-4-6-8-14/h4-10,12-13,20H,11H2,1-3H3
InChIKeyCHUUDQXHPQKNEC-UHFFFAOYSA-N
MW288.82 g/mol
LogP4.90
Rot. Bonds5

About 4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine

4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine (PubChem CID 83165583) has the molecular formula C17H21ClN2 and a molecular weight of 288.82 g/mol. Its IUPAC name is 4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine
PubChem CID83165583
Molecular FormulaC17H21ClN2
Molecular Weight288.82 g/mol
Exact Mass288.14
IUPAC Name4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine
SMILESCC(CC(C)(C)c1ccccc1)Nc1cnccc1Cl
InChIInChI=1S/C17H21ClN2/c1-13(20-16-12-19-10-9-15(16)18)11-17(2,3)14-7-5-4-6-8-14/h4-10,12-13,20H,11H2,1-3H3
InChIKeyCHUUDQXHPQKNEC-UHFFFAOYSA-N
XLogP4.90
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.82
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-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 4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine?
The IUPAC name of 4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine (CID 83165583) is 4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine?
The canonical SMILES for 4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine is CC(CC(C)(C)c1ccccc1)Nc1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine?
The InChIKey is CHUUDQXHPQKNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2/c1-13(20-16-12-19-10-9-15(16)18)11-17(2,3)14-7-5-4-6-8-14/h4-10,12-13,20H,11H2,1-3H3.
What are the key properties of 4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine?
4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine has a molecular weight of 288.82 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methyl-4-phenylpentan-2-yl)pyridin-3-amine is sourced from PubChem (CID 83165583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).