2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine

C14H14Cl2N2 — CID 102824202

IUPAC2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
SMILESCC(c1ccc(Cl)cc1)N(C)c1ccnc(Cl)c1
InChIInChI=1S/C14H14Cl2N2/c1-10(11-3-5-12(15)6-4-11)18(2)13-7-8-17-14(16)9-13/h3-10H,1-2H3
InChIKeyLSXMFUKGUDAXSH-UHFFFAOYSA-N
MW281.19 g/mol
LogP4.59
Rot. Bonds3

About 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine

2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine (PubChem CID 102824202) has the molecular formula C14H14Cl2N2 and a molecular weight of 281.19 g/mol. Its IUPAC name is 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
PubChem CID102824202
Molecular FormulaC14H14Cl2N2
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine
SMILESCC(c1ccc(Cl)cc1)N(C)c1ccnc(Cl)c1
InChIInChI=1S/C14H14Cl2N2/c1-10(11-3-5-12(15)6-4-11)18(2)13-7-8-17-14(16)9-13/h3-10H,1-2H3
InChIKeyLSXMFUKGUDAXSH-UHFFFAOYSA-N
XLogP4.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine 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 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine?
The IUPAC name of 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine (CID 102824202) is 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine?
The canonical SMILES for 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine is CC(c1ccc(Cl)cc1)N(C)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine?
The InChIKey is LSXMFUKGUDAXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2/c1-10(11-3-5-12(15)6-4-11)18(2)13-7-8-17-14(16)9-13/h3-10H,1-2H3.
What are the key properties of 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine?
2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine has a molecular weight of 281.19 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(4-chlorophenyl)ethyl]-N-methylpyridin-4-amine is sourced from PubChem (CID 102824202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).