N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine

C17H22ClN3 — CID 24844517

IUPACN'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCN(C)CCN(CCc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3/c1-20(2)13-14-21(17-5-3-16(18)4-6-17)12-9-15-7-10-19-11-8-15/h3-8,10-11H,9,12-14H2,1-2H3
InChIKeyLYARGKIWLCSYHS-UHFFFAOYSA-N
MW303.84 g/mol
LogP3.35
Rot. Bonds7

About N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine

N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine (PubChem CID 24844517) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
PubChem CID24844517
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC NameN'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
SMILESCN(C)CCN(CCc1ccncc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H22ClN3/c1-20(2)13-14-21(17-5-3-16(18)4-6-17)12-9-15-7-10-19-11-8-15/h3-8,10-11H,9,12-14H2,1-2H3
InChIKeyLYARGKIWLCSYHS-UHFFFAOYSA-N
XLogP3.35
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-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

Related Compounds

2-[4-chloro-N-(2-pyridin-4-ylethyl)anilino]acetic acid
CID 60892663
2-(4-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110755605
1-(4-chlorophenyl)-2-[methyl(2-pyridin-4-ylethyl)amino]ethanol
CID 111463163
2-(4-chloro-N-methylsulfonylanilino)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 113154839
1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62644490
3-[4-(4-chlorophenyl)phenyl]-N,N-dimethylpropan-1-amine
CID 10757306
2-[4-methyl-N-(2-pyridin-4-ylethyl)anilino]acetic acid
CID 60891884
N',N'-dimethyl-N-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 60649512
2-[(4-chlorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-4-carboxamide
CID 109170941
5-chloro-2-[methyl(2-pyridin-4-ylethyl)amino]benzenecarbothioamide
CID 62492674
2-(bromomethyl)-5-chloro-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 107080718
3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 61286728

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine (CID 24844517) is N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine is CN(C)CCN(CCc1ccncc1)c1ccc(Cl)cc1.
What is the InChIKey of N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
The InChIKey is LYARGKIWLCSYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-20(2)13-14-21(17-5-3-16(18)4-6-17)12-9-15-7-10-19-11-8-15/h3-8,10-11H,9,12-14H2,1-2H3.
What are the key properties of N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine?
N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine has a molecular weight of 303.84 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)-N,N-dimethyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 24844517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).