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

C14H13ClFN — CID 43184847

IUPAC1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClFN/c15-12-6-4-11(5-7-12)14(17)9-10-2-1-3-13(16)8-10/h1-8,14H,9,17H2
InChIKeyXIOCGHBAMRUAHJ-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.72
Rot. Bonds3

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

1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine (PubChem CID 43184847) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine
PubChem CID43184847
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClFN/c15-12-6-4-11(5-7-12)14(17)9-10-2-1-3-13(16)8-10/h1-8,14H,9,17H2
InChIKeyXIOCGHBAMRUAHJ-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

2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
CID 54941560
2-(3-fluorophenyl)-1-phenylethanamine;hydrochloride
CID 25032833
1-(2,5-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43344680
2-(3-fluorophenyl)-1-(4-methylsulfanylphenyl)ethanamine
CID 79217792
2-(3-bromophenyl)-1-(4-chlorophenyl)ethanamine
CID 60820505
1-(2,6-dichlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 61079265
2-(4-chlorophenyl)-3-(3-fluorophenyl)propanenitrile
CID 82140421
2-(3-fluorophenyl)-1-(furan-3-yl)ethanamine
CID 61078347
2-(3-chlorophenyl)-1-(2,5-difluorophenyl)ethanamine
CID 62505457
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
2-(2-chloro-5-fluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 102618374
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine?
The IUPAC name of 1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine (CID 43184847) is 1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine?
The canonical SMILES for 1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine is NC(Cc1cccc(F)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine?
The InChIKey is XIOCGHBAMRUAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c15-12-6-4-11(5-7-12)14(17)9-10-2-1-3-13(16)8-10/h1-8,14H,9,17H2.
What are the key properties of 1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine?
1-(4-chlorophenyl)-2-(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 1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 43184847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).