1-(4-chloro-3-fluorophenyl)-2-phenylethanamine

C14H13ClFN — CID 107988729

IUPAC1-(4-chloro-3-fluorophenyl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H13ClFN/c15-12-7-6-11(9-13(12)16)14(17)8-10-4-2-1-3-5-10/h1-7,9,14H,8,17H2
InChIKeyFDGPSAJKNMPOPE-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.72
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-2-phenylethanamine

1-(4-chloro-3-fluorophenyl)-2-phenylethanamine (PubChem CID 107988729) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-2-phenylethanamine.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-2-phenylethanamine
PubChem CID107988729
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name1-(4-chloro-3-fluorophenyl)-2-phenylethanamine
SMILESNC(Cc1ccccc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H13ClFN/c15-12-7-6-11(9-13(12)16)14(17)8-10-4-2-1-3-5-10/h1-7,9,14H,8,17H2
InChIKeyFDGPSAJKNMPOPE-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-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
2-(4-tert-butylphenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107992613
2-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-1-ol
CID 62720949
(1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171264003
2-(4-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995680
1-(3-chloro-4-methylphenyl)-2-phenylethanamine
CID 55162176
1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine
CID 107988898
1-(4-chloro-3-methoxyphenyl)-2-phenylethanamine
CID 79701061
1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107996136
1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885076
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-phenylethanamine?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-2-phenylethanamine (CID 107988729) is 1-(4-chloro-3-fluorophenyl)-2-phenylethanamine.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-2-phenylethanamine?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-2-phenylethanamine is NC(Cc1ccccc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-2-phenylethanamine?
The InChIKey is FDGPSAJKNMPOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c15-12-7-6-11(9-13(12)16)14(17)8-10-4-2-1-3-5-10/h1-7,9,14H,8,17H2.
What are the key properties of 1-(4-chloro-3-fluorophenyl)-2-phenylethanamine?
1-(4-chloro-3-fluorophenyl)-2-phenylethanamine 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-chloro-3-fluorophenyl)-2-phenylethanamine is sourced from PubChem (CID 107988729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).