5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine

C17H22ClN3 — CID 80630036

IUPAC5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CC(C)N)cnc1N(C)Cc1ccccc1Cl
InChIInChI=1S/C17H22ClN3/c1-12-8-14(9-13(2)19)10-20-17(12)21(3)11-15-6-4-5-7-16(15)18/h4-8,10,13H,9,11,19H2,1-3H3
InChIKeyAFFSEYDAAHZOHI-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.57
Rot. Bonds5

About 5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine

5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine (PubChem CID 80630036) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine
PubChem CID80630036
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine
SMILESCc1cc(CC(C)N)cnc1N(C)Cc1ccccc1Cl
InChIInChI=1S/C17H22ClN3/c1-12-8-14(9-13(2)19)10-20-17(12)21(3)11-15-6-4-5-7-16(15)18/h4-8,10,13H,9,11,19H2,1-3H3
InChIKeyAFFSEYDAAHZOHI-UHFFFAOYSA-N
XLogP3.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-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 5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine?
The IUPAC name of 5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine (CID 80630036) is 5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine.
What is the SMILES notation for 5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine?
The canonical SMILES for 5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine is Cc1cc(CC(C)N)cnc1N(C)Cc1ccccc1Cl.
What is the InChIKey of 5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine?
The InChIKey is AFFSEYDAAHZOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-12-8-14(9-13(2)19)10-20-17(12)21(3)11-15-6-4-5-7-16(15)18/h4-8,10,13H,9,11,19H2,1-3H3.
What are the key properties of 5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine?
5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine has a molecular weight of 303.84 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropyl)-N-[(2-chlorophenyl)methyl]-N,3-dimethylpyridin-2-amine is sourced from PubChem (CID 80630036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).