2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine

C14H14ClFN2 — CID 82806137

IUPAC2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H14ClFN2/c1-9-5-6-18-8-11(9)13(17)7-10-3-2-4-12(15)14(10)16/h2-6,8,13H,7,17H2,1H3
InChIKeyNZTDJAZGLOTCQF-UHFFFAOYSA-N
MW264.73 g/mol
LogP3.43
Rot. Bonds3

About 2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine

2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine (PubChem CID 82806137) has the molecular formula C14H14ClFN2 and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
PubChem CID82806137
Molecular FormulaC14H14ClFN2
Molecular Weight264.73 g/mol
Exact Mass264.08
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
SMILESCc1ccncc1C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H14ClFN2/c1-9-5-6-18-8-11(9)13(17)7-10-3-2-4-12(15)14(10)16/h2-6,8,13H,7,17H2,1H3
InChIKeyNZTDJAZGLOTCQF-UHFFFAOYSA-N
XLogP3.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine 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-(3-chloro-2-fluorophenyl)-N-ethyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 82806395
2-(2-chloro-4-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 66273987
1-(2-chloro-3-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866438
2-(3-chloro-2-fluorophenyl)-1-(2,3,4-trifluorophenyl)ethanamine
CID 82806473
2-(3-chloro-2-fluorophenyl)-1-(5-chloro-2-fluorophenyl)ethanamine
CID 102858038
2-(3-chloro-2-fluorophenyl)-1-(4-methylthiadiazol-5-yl)ethanamine
CID 102866882
2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine
CID 82787833
2-(2-chlorophenyl)-1-(2,3-difluoro-4-methylphenyl)ethanamine
CID 107513256
2-(2-bromo-3-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 105172091
2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 82806876
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 105032385
1-(3-bromo-2-chlorophenyl)-2-(3-chloro-2-fluorophenyl)ethanamine
CID 102866631

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine (CID 82806137) is 2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine is Cc1ccncc1C(N)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine?
The InChIKey is NZTDJAZGLOTCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2/c1-9-5-6-18-8-11(9)13(17)7-10-3-2-4-12(15)14(10)16/h2-6,8,13H,7,17H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine?
2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine has a molecular weight of 264.73 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 82806137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).