3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine

C16H19ClN2 — CID 2725

IUPAC3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
SMILESCN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
InChIKeySOYKEARSMXGVTM-UHFFFAOYSA-N
MW274.80 g/mol
LogP3.82
Rot. Bonds5

About 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine

3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine (PubChem CID 2725) has the molecular formula C16H19ClN2 and a molecular weight of 274.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
PubChem CID2725
Molecular FormulaC16H19ClN2
Molecular Weight274.80 g/mol
Exact Mass274.12
IUPAC Name3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
SMILESCN(C)CCC(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3
InChIKeySOYKEARSMXGVTM-UHFFFAOYSA-N
XLogP3.82
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.80
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(4-chlorophenyl)-N,N-dimethyl-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

Triprolidine
CID 5282443
Desloratadine
CID 124087
(+-)-Dimethindene
CID 21855
Dexchlorpheniramine
CID 33036
Dexchlorpheniramine Maleate
CID 5281070
Pheniramine
CID 4761
Chlorpheniramine Maleate
CID 5281068
Azatadine
CID 19861
Rupatadine
CID 133017
Triprolidine Hydrochloride Anhydrous
CID 5702129
2-(3-Phenylpropyl)Pyridine
CID 459494
Chlorphenamine Maleate
CID 6433151

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine?
The IUPAC name of 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine (CID 2725) is 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine is CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine?
The InChIKey is SOYKEARSMXGVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine?
3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine has a molecular weight of 274.80 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine is sourced from PubChem (CID 2725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).