2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine

C13H13ClFN3 — CID 102619243

IUPAC2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCc1nccc(C(N)Cc2cc(F)ccc2Cl)n1
InChIInChI=1S/C13H13ClFN3/c1-8-17-5-4-13(18-8)12(16)7-9-6-10(15)2-3-11(9)14/h2-6,12H,7,16H2,1H3
InChIKeyLKMJIJNNGUFSPV-UHFFFAOYSA-N
MW265.72 g/mol
LogP2.82
Rot. Bonds3

About 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine

2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine (PubChem CID 102619243) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
PubChem CID102619243
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
SMILESCc1nccc(C(N)Cc2cc(F)ccc2Cl)n1
InChIInChI=1S/C13H13ClFN3/c1-8-17-5-4-13(18-8)12(16)7-9-6-10(15)2-3-11(9)14/h2-6,12H,7,16H2,1H3
InChIKeyLKMJIJNNGUFSPV-UHFFFAOYSA-N
XLogP2.82
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)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-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530243
2-(2-chloro-5-fluorophenyl)-1-(2,6-dimethyl-4-pyridinyl)ethanamine
CID 107503345
2-(2,3-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 113329452
2-(2,5-difluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanol
CID 115527940
2-(2-chloro-5-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 102619185
2-(2-chloro-5-fluorophenyl)-1-(2-chlorophenyl)ethanamine
CID 102618794
1-(2-methylpyrimidin-4-yl)-2-naphthalen-1-ylethanamine
CID 115530277
N-[(2-chloro-5-fluorophenyl)-(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 105395384
1-(4-tert-butylphenyl)-2-(2-chloro-5-fluorophenyl)ethanamine
CID 102622505
1-(2-chloro-5-fluorophenyl)-3-(2-methylphenyl)propan-2-amine
CID 102618765
2-(2-chloro-5-fluorophenyl)-1-(2-methylsulfanylphenyl)ethanamine
CID 102622535
2-(2-chloro-5-fluorophenyl)-1-(3-chloro-4-pyridinyl)ethanamine
CID 102622472

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The IUPAC name of 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine (CID 102619243) is 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine.
What is the SMILES notation for 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The canonical SMILES for 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine is Cc1nccc(C(N)Cc2cc(F)ccc2Cl)n1.
What is the InChIKey of 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
The InChIKey is LKMJIJNNGUFSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-8-17-5-4-13(18-8)12(16)7-9-6-10(15)2-3-11(9)14/h2-6,12H,7,16H2,1H3.
What are the key properties of 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine?
2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine has a molecular weight of 265.72 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-5-fluorophenyl)-1-(2-methylpyrimidin-4-yl)ethanamine is sourced from PubChem (CID 102619243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).