3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine

C16H20ClN3 — CID 43678667

IUPAC3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCCC(Nc1cnccc1N(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3/c1-4-14(12-5-7-13(17)8-6-12)19-15-11-18-10-9-16(15)20(2)3/h5-11,14,19H,4H2,1-3H3
InChIKeySCKZLDWXJNPNNU-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.36
Rot. Bonds5

About 3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 43678667) has the molecular formula C16H20ClN3 and a molecular weight of 289.81 g/mol. Its IUPAC name is 3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID43678667
Molecular FormulaC16H20ClN3
Molecular Weight289.81 g/mol
Exact Mass289.13
IUPAC Name3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCCC(Nc1cnccc1N(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C16H20ClN3/c1-4-14(12-5-7-13(17)8-6-12)19-15-11-18-10-9-16(15)20(2)3/h5-11,14,19H,4H2,1-3H3
InChIKeySCKZLDWXJNPNNU-UHFFFAOYSA-N
XLogP4.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-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

3-N-[1-(4-ethylphenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678466
3-N-[1-(4-fluorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678675
4-chloro-1-N,1-N-dimethyl-2-N-[1-(4-methylphenyl)propyl]benzene-1,2-diamine
CID 43741160
2-[1-[[4-(dimethylamino)-3-pyridinyl]amino]propyl]phenol
CID 43678570
methyl 2-[[4-(dimethylamino)-3-pyridinyl]amino]butanoate
CID 115352484
N-[1-(4-chlorophenyl)propyl]-2,4,5-trifluoroaniline
CID 63476825
2-(3-chlorophenyl)-N-[4-(dimethylamino)-3-pyridinyl]butanamide
CID 166355511
N-[1-(4-chlorophenyl)propyl]-2-iodoaniline
CID 43124768
4-[1-[[4-(dimethylamino)-3-pyridinyl]amino]ethyl]-2-methoxyphenol
CID 43678633
3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 66159679
4-N,4-N-dimethyl-3-N-(4-phenylbutan-2-yl)pyridine-3,4-diamine
CID 43678643
3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678620

Frequently Asked Questions

What is the IUPAC name of 3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine (CID 43678667) is 3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine is CCC(Nc1cnccc1N(C)C)c1ccc(Cl)cc1.
What is the InChIKey of 3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is SCKZLDWXJNPNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3/c1-4-14(12-5-7-13(17)8-6-12)19-15-11-18-10-9-16(15)20(2)3/h5-11,14,19H,4H2,1-3H3.
What are the key properties of 3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 289.81 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-(4-chlorophenyl)propyl]-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 43678667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).