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

C14H13ClFN — CID 81144923

IUPAC2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
SMILESNC(Cc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H13ClFN/c15-12-8-10(6-7-13(12)16)9-14(17)11-4-2-1-3-5-11/h1-8,14H,9,17H2
InChIKeyUWYGYSMOQDTOMX-UHFFFAOYSA-N
MW249.72 g/mol
LogP3.72
Rot. Bonds3

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

2-(3-chloro-4-fluorophenyl)-1-phenylethanamine (PubChem CID 81144923) has the molecular formula C14H13ClFN and a molecular weight of 249.72 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-1-phenylethanamine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
PubChem CID81144923
Molecular FormulaC14H13ClFN
Molecular Weight249.72 g/mol
Exact Mass249.07
IUPAC Name2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
SMILESNC(Cc1ccc(F)c(Cl)c1)c1ccccc1
InChIInChI=1S/C14H13ClFN/c15-12-8-10(6-7-13(12)16)9-14(17)11-4-2-1-3-5-11/h1-8,14H,9,17H2
InChIKeyUWYGYSMOQDTOMX-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-(3-chloro-4-fluorophenyl)-1-(4-methylphenyl)ethanamine
CID 103039768
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
2-(3-chloro-4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 103043034
3-(3-chloro-4-fluorophenyl)-2-methyl-1-phenylpropan-1-amine
CID 103038667
2-(4-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052629
3-[1-amino-2-(3-chloro-4-fluorophenyl)ethyl]-N,N-dimethylaniline
CID 103043235
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanamine
CID 103043039
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
1-(3-chloro-4-fluorophenyl)propan-2-amine
CID 55254568
1-(1-benzothiophen-2-yl)-2-(3-chloro-4-fluorophenyl)ethanamine
CID 103043364
1-(4-chloro-3-fluorophenyl)-2-phenylethanamine
CID 107988729
1-(4-chlorophenyl)-2-(3-fluorophenyl)ethanamine
CID 43184847

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-phenylethanamine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-1-phenylethanamine (CID 81144923) is 2-(3-chloro-4-fluorophenyl)-1-phenylethanamine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-1-phenylethanamine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-1-phenylethanamine is NC(Cc1ccc(F)c(Cl)c1)c1ccccc1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-1-phenylethanamine?
The InChIKey is UWYGYSMOQDTOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFN/c15-12-8-10(6-7-13(12)16)9-14(17)11-4-2-1-3-5-11/h1-8,14H,9,17H2.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-1-phenylethanamine?
2-(3-chloro-4-fluorophenyl)-1-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 2-(3-chloro-4-fluorophenyl)-1-phenylethanamine is sourced from PubChem (CID 81144923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).