N'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine

C18H24ClN3 — CID 3057336

IUPACN'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCCN(CC)CCN(Cc1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C18H24ClN3/c1-3-21(4-2)12-13-22(18-10-5-6-11-20-18)15-16-8-7-9-17(19)14-16/h5-11,14H,3-4,12-13,15H2,1-2H3
InChIKeyKNSPGPUCUJMVDS-UHFFFAOYSA-N
MW317.86 g/mol
LogP4.08
Rot. Bonds8

About N'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine

N'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine (PubChem CID 3057336) has the molecular formula C18H24ClN3 and a molecular weight of 317.86 g/mol. Its IUPAC name is N'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine
PubChem CID3057336
Molecular FormulaC18H24ClN3
Molecular Weight317.86 g/mol
Exact Mass317.17
IUPAC NameN'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine
SMILESCCN(CC)CCN(Cc1cccc(Cl)c1)c1ccccn1
InChIInChI=1S/C18H24ClN3/c1-3-21(4-2)12-13-22(18-10-5-6-11-20-18)15-16-8-7-9-17(19)14-16/h5-11,14H,3-4,12-13,15H2,1-2H3
InChIKeyKNSPGPUCUJMVDS-UHFFFAOYSA-N
XLogP4.08
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.86
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine 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 N'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine?
The IUPAC name of N'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine (CID 3057336) is N'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine is CCN(CC)CCN(Cc1cccc(Cl)c1)c1ccccn1.
What is the InChIKey of N'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine?
The InChIKey is KNSPGPUCUJMVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3/c1-3-21(4-2)12-13-22(18-10-5-6-11-20-18)15-16-8-7-9-17(19)14-16/h5-11,14H,3-4,12-13,15H2,1-2H3.
What are the key properties of N'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine?
N'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine has a molecular weight of 317.86 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-chlorophenyl)methyl]-N,N-diethyl-N'-pyridin-2-ylethane-1,2-diamine is sourced from PubChem (CID 3057336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).