2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine

C14H13ClFN — CID 68867415

IUPAC2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine
SMILESNCCc1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClFN/c15-13-9-12(5-6-14(13)16)11-3-1-10(2-4-11)7-8-17/h1-6,9H,7-8,17H2
InChIKeyLAZHPLKIZMTYOE-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.65
Rot. Bonds3

About 2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine

2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine (PubChem CID 68867415) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine
PubChem CID68867415
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine
SMILESNCCc1ccc(-c2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C14H13ClFN/c15-13-9-12(5-6-14(13)16)11-3-1-10(2-4-11)7-8-17/h1-6,9H,7-8,17H2
InChIKeyLAZHPLKIZMTYOE-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.72
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(3-chloro-4-methylphenyl)phenyl]ethanamine
CID 110282226
2-[2-(3-chloro-4-fluorophenyl)pyrimidin-5-yl]ethanamine
CID 63087706
2-[4-chloro-3-(3,4-difluorophenyl)phenyl]ethanamine
CID 82107251
2-chloro-4-(3-chloro-4-fluorophenyl)aniline
CID 107607731
1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene
CID 142366576
3-[3-[4-(3-chloro-4-fluorophenyl)phenyl]propanoylamino]-2-hydroxypropanamide
CID 173118647
2-[5-(3-chloro-4-fluorophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 80502983
2-[5-(3-chloro-4-fluorophenyl)-1,2-oxazol-3-yl]ethanamine
CID 82477361
[4-(3,4-dichlorophenyl)phenyl]methanamine
CID 3610827
[4-(3,4-difluorophenyl)phenyl]methanamine
CID 61033518
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
2-[2-(3-chloro-4-fluorophenyl)-4,6-diethylpyrimidin-5-yl]ethanamine
CID 79220557

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine?
The IUPAC name of 2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine (CID 68867415) is 2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine is NCCc1ccc(-c2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of 2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine?
The InChIKey is LAZHPLKIZMTYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c15-13-9-12(5-6-14(13)16)11-3-1-10(2-4-11)7-8-17/h1-6,9H,7-8,17H2.
What are the key properties of 2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine?
2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine has a molecular weight of 249.72 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-4-fluorophenyl)phenyl]ethanamine is sourced from PubChem (CID 68867415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).