1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine

C14H15ClN2 — CID 105106557

IUPAC1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine
SMILESNC(CCc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2/c15-12-5-3-4-11(10-12)14(16)8-7-13-6-1-2-9-17-13/h1-6,9-10,14H,7-8,16H2
InChIKeyNUPWSACXGLLTBR-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.37
Rot. Bonds4

About 1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine

1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine (PubChem CID 105106557) has the molecular formula C14H15ClN2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine
PubChem CID105106557
Molecular FormulaC14H15ClN2
Molecular Weight246.74 g/mol
Exact Mass246.09
IUPAC Name1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine
SMILESNC(CCc1ccccn1)c1cccc(Cl)c1
InChIInChI=1S/C14H15ClN2/c15-12-5-3-4-11(10-12)14(16)8-7-13-6-1-2-9-17-13/h1-6,9-10,14H,7-8,16H2
InChIKeyNUPWSACXGLLTBR-UHFFFAOYSA-N
XLogP3.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-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

1-(2-chlorophenyl)-3-pyridin-2-ylpropan-1-amine
CID 105099874
(1R)-1-(3-chlorophenyl)propane-1,3-diamine;hydrochloride
CID 171199565
1-(4-ethylphenyl)-3-pyridin-2-ylpropan-1-amine
CID 105121774
(2S)-4-pyridin-2-ylbutan-2-amine
CID 22831528
(1S)-1-(3-chlorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171219105
(1S)-1-(3-chlorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171219117
1-(1-ethylpyrazol-4-yl)-3-pyridin-2-ylpropan-1-amine
CID 105109214
(1S)-1-(3-chlorophenyl)hexan-1-amine;hydrochloride
CID 171219101
1-(3-chlorophenyl)undecan-1-amine
CID 63411961
1-(3-chlorophenyl)decan-1-amine
CID 63412045
2-(3-chlorophenyl)-2-pyridin-2-ylethanamine
CID 75357398
3-chloro-N-(2-pyridin-2-ylethyl)aniline
CID 5001899

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine (CID 105106557) is 1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine is NC(CCc1ccccn1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine?
The InChIKey is NUPWSACXGLLTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2/c15-12-5-3-4-11(10-12)14(16)8-7-13-6-1-2-9-17-13/h1-6,9-10,14H,7-8,16H2.
What are the key properties of 1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine?
1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine has a molecular weight of 246.74 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 105106557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).