2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine

C14H12ClF2N — CID 112653545

IUPAC2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1Cl)c1cccc(F)c1
InChIInChI=1S/C14H12ClF2N/c15-14-10(4-2-6-12(14)17)8-13(18)9-3-1-5-11(16)7-9/h1-7,13H,8,18H2
InChIKeyYOKYWEUDKKHSHV-UHFFFAOYSA-N
MW267.71 g/mol
LogP3.86
Rot. Bonds3

About 2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine

2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine (PubChem CID 112653545) has the molecular formula C14H12ClF2N and a molecular weight of 267.71 g/mol. Its IUPAC name is 2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine
PubChem CID112653545
Molecular FormulaC14H12ClF2N
Molecular Weight267.71 g/mol
Exact Mass267.06
IUPAC Name2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine
SMILESNC(Cc1cccc(F)c1Cl)c1cccc(F)c1
InChIInChI=1S/C14H12ClF2N/c15-14-10(4-2-6-12(14)17)8-13(18)9-3-1-5-11(16)7-9/h1-7,13H,8,18H2
InChIKeyYOKYWEUDKKHSHV-UHFFFAOYSA-N
XLogP3.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-3-methylphenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 105032643
1-(3-bromo-4-chlorophenyl)-2-(2-chloro-3-fluorophenyl)ethanamine
CID 112653947
2-(4-chlorophenyl)-1-(3-fluorophenyl)ethanamine
CID 54941560
2-(4-fluoro-2-methylphenyl)-1-(3-fluorophenyl)ethanamine
CID 114347619
1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107996136
(2-chloro-3-fluorophenyl)-(3-fluorophenyl)methanamine
CID 115791995
[1-(2-chloro-3-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-yl]hydrazine
CID 105223066
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 105032385
1-(4-chloro-3-fluorophenyl)-2-(2,3-difluorophenyl)ethanamine
CID 107988898
2-(3-chloro-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995788
2-(2-chloro-3-fluorophenyl)-1-(2,5-dimethylphenyl)ethanamine
CID 105032399

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine?
The IUPAC name of 2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine (CID 112653545) is 2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine is NC(Cc1cccc(F)c1Cl)c1cccc(F)c1.
What is the InChIKey of 2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine?
The InChIKey is YOKYWEUDKKHSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF2N/c15-14-10(4-2-6-12(14)17)8-13(18)9-3-1-5-11(16)7-9/h1-7,13H,8,18H2.
What are the key properties of 2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine?
2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine has a molecular weight of 267.71 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-3-fluorophenyl)-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 112653545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).