1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine

C16H18Cl2N2 — CID 43503382

IUPAC1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine
SMILESCCC(NC(C)c1cccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-3-16(14-7-6-13(17)9-15(14)18)20-11(2)12-5-4-8-19-10-12/h4-11,16,20H,3H2,1-2H3
InChIKeyPTGZPESQGYQYQY-UHFFFAOYSA-N
MW309.24 g/mol
LogP5.19
Rot. Bonds5

About 1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine

1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine (PubChem CID 43503382) has the molecular formula C16H18Cl2N2 and a molecular weight of 309.24 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine.

Molecular Properties

Compound Name1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine
PubChem CID43503382
Molecular FormulaC16H18Cl2N2
Molecular Weight309.24 g/mol
Exact Mass308.08
IUPAC Name1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine
SMILESCCC(NC(C)c1cccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C16H18Cl2N2/c1-3-16(14-7-6-13(17)9-15(14)18)20-11(2)12-5-4-8-19-10-12/h4-11,16,20H,3H2,1-2H3
InChIKeyPTGZPESQGYQYQY-UHFFFAOYSA-N
XLogP5.19
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.24
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-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

N-[1-(2,4-dichlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43193785
1-(3-chlorophenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 79139531
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 81374924
N-[1-(2-chloro-4-fluorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 43768143
1-(3-chloro-4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]ethanamine
CID 81344921
1-(3-chlorophenyl)-N-[1-(3-chlorophenyl)ethyl]propan-1-amine
CID 43103044
1-(4-methoxyphenyl)-N-[(1R)-1-pyridin-3-ylethyl]propan-1-amine
CID 81407563
1-(3-chlorophenyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 81353113
2-[1-(2,4-dichlorophenyl)propylamino]propan-1-ol
CID 43503458
N-[1-(2,4-dichlorophenyl)propyl]-4-methylpentan-2-amine
CID 43503451
(1R)-N-[1-(2-chlorophenyl)ethyl]-1-pyridin-3-ylethanamine
CID 79691249
N-[1-(2,4-dichlorophenyl)propyl]-4-propan-2-ylaniline
CID 43503309

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine?
The IUPAC name of 1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine (CID 43503382) is 1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine.
What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine?
The canonical SMILES for 1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine is CCC(NC(C)c1cccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine?
The InChIKey is PTGZPESQGYQYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2/c1-3-16(14-7-6-13(17)9-15(14)18)20-11(2)12-5-4-8-19-10-12/h4-11,16,20H,3H2,1-2H3.
What are the key properties of 1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine?
1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine has a molecular weight of 309.24 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichlorophenyl)-N-(1-pyridin-3-ylethyl)propan-1-amine is sourced from PubChem (CID 43503382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).