N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine

C15H16Cl2N2 — CID 60649518

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine
SMILESClc1ccc(CCNCCc2ccncc2)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c16-14-2-1-13(15(17)11-14)6-10-19-9-5-12-3-7-18-8-4-12/h1-4,7-8,11,19H,5-6,9-10H2
InChIKeyIRQGDLDUAQTSPG-UHFFFAOYSA-N
MW295.21 g/mol
LogP3.76
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine

N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine (PubChem CID 60649518) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine
PubChem CID60649518
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine
SMILESClc1ccc(CCNCCc2ccncc2)c(Cl)c1
InChIInChI=1S/C15H16Cl2N2/c16-14-2-1-13(15(17)11-14)6-10-19-9-5-12-3-7-18-8-4-12/h1-4,7-8,11,19H,5-6,9-10H2
InChIKeyIRQGDLDUAQTSPG-UHFFFAOYSA-N
XLogP3.76
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine 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-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 17209606
3-[2-(2,4-dichlorophenyl)ethylamino]propan-1-ol
CID 60672346
4-[2-[(2,4-dichlorophenyl)methylamino]ethyl]phenol
CID 61237272
N-[2-(2,4-dichlorophenyl)ethyl]-2,2-difluoroethanamine
CID 60921887
2-(2,4-dichlorophenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 43807626
N-[(4-bromophenyl)methyl]-2-(2,4-dichlorophenyl)ethanamine
CID 17209550
4-[2-(2,4-dichlorophenyl)ethylamino]butanoic acid
CID 43377886
1-[2-(2,4-dichlorophenyl)ethyl]-3-(2-phenylethyl)urea
CID 108989118
N-[2-(2,4-dichlorophenyl)ethyl]-4-methoxybutan-1-amine
CID 113436854
4-chloro-2-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 114255842
1-[2-(2,4-dichlorophenyl)ethylamino]propan-2-ol
CID 60885182
1-[2-(2,4-dichlorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885487

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine (CID 60649518) is N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine is Clc1ccc(CCNCCc2ccncc2)c(Cl)c1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine?
The InChIKey is IRQGDLDUAQTSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c16-14-2-1-13(15(17)11-14)6-10-19-9-5-12-3-7-18-8-4-12/h1-4,7-8,11,19H,5-6,9-10H2.
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine?
N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine has a molecular weight of 295.21 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-2-pyridin-4-ylethanamine is sourced from PubChem (CID 60649518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).