3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-amine

C20H25ClN2 — CID 19694049

IUPAC3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-amine
SMILESCC(C)c1nccc(NC2CCC(c3ccccc3)CC2)c1Cl
InChIInChI=1S/C20H25ClN2/c1-14(2)20-19(21)18(12-13-22-20)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,12-14,16-17H,8-11H2,1-2H3,(H,22,23)
InChIKeyQQTMZAOKXAAPNO-UHFFFAOYSA-N
MW328.89 g/mol
LogP6.00
Rot. Bonds4

About 3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-amine

3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-amine (PubChem CID 19694049) has the molecular formula C20H25ClN2 and a molecular weight of 328.89 g/mol. Its IUPAC name is 3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-amine
PubChem CID19694049
Molecular FormulaC20H25ClN2
Molecular Weight328.89 g/mol
Exact Mass328.17
IUPAC Name3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-amine
SMILESCC(C)c1nccc(NC2CCC(c3ccccc3)CC2)c1Cl
InChIInChI=1S/C20H25ClN2/c1-14(2)20-19(21)18(12-13-22-20)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,12-14,16-17H,8-11H2,1-2H3,(H,22,23)
InChIKeyQQTMZAOKXAAPNO-UHFFFAOYSA-N
XLogP6.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.89
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-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 3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-amine?
The IUPAC name of 3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-amine (CID 19694049) is 3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-amine.
What is the SMILES notation for 3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-amine?
The canonical SMILES for 3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-amine is CC(C)c1nccc(NC2CCC(c3ccccc3)CC2)c1Cl.
What is the InChIKey of 3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-amine?
The InChIKey is QQTMZAOKXAAPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2/c1-14(2)20-19(21)18(12-13-22-20)23-17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-7,12-14,16-17H,8-11H2,1-2H3,(H,22,23).
What are the key properties of 3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-amine?
3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-amine has a molecular weight of 328.89 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-phenylcyclohexyl)-2-propan-2-ylpyridin-4-amine is sourced from PubChem (CID 19694049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).