2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine

C14H12Cl3FN2 — CID 107884966

IUPAC2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)c(F)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl3FN2/c1-19-13(14-11(17)6-9(15)7-20-14)5-8-2-3-10(16)12(18)4-8/h2-4,6-7,13,19H,5H2,1H3
InChIKeyHYQZEYOKUCVDPQ-UHFFFAOYSA-N
MW333.62 g/mol
LogP4.68
Rot. Bonds4

About 2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine

2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine (PubChem CID 107884966) has the molecular formula C14H12Cl3FN2 and a molecular weight of 333.62 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
PubChem CID107884966
Molecular FormulaC14H12Cl3FN2
Molecular Weight333.62 g/mol
Exact Mass332.01
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
SMILESCNC(Cc1ccc(Cl)c(F)c1)c1ncc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl3FN2/c1-19-13(14-11(17)6-9(15)7-20-14)5-8-2-3-10(16)12(18)4-8/h2-4,6-7,13,19H,5H2,1H3
InChIKeyHYQZEYOKUCVDPQ-UHFFFAOYSA-N
XLogP4.68
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.62
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine 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

1-(3,5-dichloro-2-pyridinyl)-2-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 79783537
1-(3,5-dichloro-2-pyridinyl)-2-(4-ethylphenyl)-N-methylethanamine
CID 79780634
1-(3,5-dichloro-2-pyridinyl)-N-methyl-2-(3-methylphenyl)ethanamine
CID 79780808
2-(5-bromo-2-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine
CID 79780467
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-4-yl)ethanamine
CID 114012748
[2-(3,4-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)ethyl]hydrazine
CID 105248609
2-(3-bromo-4-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783679
1-(3,5-dichloro-2-pyridinyl)-2-(3,4-difluorophenyl)ethanol
CID 82920233
2-(3-chloro-4-fluorophenyl)-1-(3,5-dibromo-2-pyridinyl)-N-methylethanamine
CID 103040452
2-(4-chloro-3-fluorophenyl)-1-(4-fluoro-3-methylphenyl)-N-methylethanamine
CID 107884560
2-(4-chloro-3-fluorophenyl)-N-methyl-1-(1,3-thiazol-5-yl)ethanamine
CID 107885005
(2S)-2-(3,5-dichloro-2-pyridinyl)-2-(methylamino)ethanol
CID 131218477

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine (CID 107884966) is 2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine is CNC(Cc1ccc(Cl)c(F)c1)c1ncc(Cl)cc1Cl.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine?
The InChIKey is HYQZEYOKUCVDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3FN2/c1-19-13(14-11(17)6-9(15)7-20-14)5-8-2-3-10(16)12(18)4-8/h2-4,6-7,13,19H,5H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine?
2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine has a molecular weight of 333.62 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 107884966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).