2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine

C14H13ClFN — CID 54941560

IUPAC2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C14H13ClFN/c15-12-6-4-10(5-7-12)8-14(17)11-2-1-3-13(16)9-11/h1-7,9,14H,8,17H2
InChIKeyBQVLCVOACDZDTL-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.72
Rot. Bonds3

About 2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine

2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine (PubChem CID 54941560) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
PubChem CID54941560
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
SMILESNC(Cc1ccc(Cl)cc1)c1cccc(F)c1
InChIInChI=1S/C14H13ClFN/c15-12-6-4-10(5-7-12)8-14(17)11-2-1-3-13(16)9-11/h1-7,9,14H,8,17H2
InChIKeyBQVLCVOACDZDTL-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43184847
1-(3-bromophenyl)-2-(4-chlorophenyl)ethanamine
CID 60819329
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine
CID 112653545
2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052629
2-(3,5-dimethylphenyl)-1-(3-fluorophenyl)ethanamine
CID 61030374
1-(3-fluorophenyl)-2-(3-methylphenyl)ethanamine
CID 54945902
3-(4-chlorophenyl)-2-(3-fluorophenyl)-N-methylpropan-1-amine
CID 79440300
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
2-(4-chlorophenyl)-1-(4-fluoro-3,5-dimethylphenyl)ethanamine
CID 65299082
1-(2-chloro-4-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 61077601

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine (CID 54941560) is 2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine is NC(Cc1ccc(Cl)cc1)c1cccc(F)c1.
What is the InChIKey of 2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine?
The InChIKey is BQVLCVOACDZDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c15-12-6-4-10(5-7-12)8-14(17)11-2-1-3-13(16)9-11/h1-7,9,14H,8,17H2.
What are the key properties of 2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine?
2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine has a molecular weight of 249.72 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 54941560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).