2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine

C15H14ClF2N — CID 107885313

IUPAC2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)Cc2ccc(Cl)c(F)c2)c1F
InChIInChI=1S/C15H14ClF2N/c1-9-3-2-4-11(15(9)18)14(19)8-10-5-6-12(16)13(17)7-10/h2-7,14H,8,19H2,1H3
InChIKeyGQKDEIPSZLOORG-UHFFFAOYSA-N
MW281.73 g/mol
LogP4.17
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine

2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine (PubChem CID 107885313) has the molecular formula C15H14ClF2N and a molecular weight of 281.73 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
PubChem CID107885313
Molecular FormulaC15H14ClF2N
Molecular Weight281.73 g/mol
Exact Mass281.08
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
SMILESCc1cccc(C(N)Cc2ccc(Cl)c(F)c2)c1F
InChIInChI=1S/C15H14ClF2N/c1-9-3-2-4-11(15(9)18)14(19)8-10-5-6-12(16)13(17)7-10/h2-7,14H,8,19H2,1H3
InChIKeyGQKDEIPSZLOORG-UHFFFAOYSA-N
XLogP4.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.73
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-difluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 81477102
1-(5-bromo-2-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891666
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107892584
2-(4-chloro-3-fluorophenyl)-1-(2-methylphenyl)ethanol
CID 114012545
2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 107891606
2-(4-bromophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 81477646
2-(4-chloro-3-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 107891668
1-(4-bromo-3,5-dimethylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885245
2-(2-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine
CID 105032385
1-(2-chloro-3-fluorophenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 81454060
1-(4-chloro-3-fluorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 107884616
2-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 107885041

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine (CID 107885313) is 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine is Cc1cccc(C(N)Cc2ccc(Cl)c(F)c2)c1F.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine?
The InChIKey is GQKDEIPSZLOORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClF2N/c1-9-3-2-4-11(15(9)18)14(19)8-10-5-6-12(16)13(17)7-10/h2-7,14H,8,19H2,1H3.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine?
2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine has a molecular weight of 281.73 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanamine is sourced from PubChem (CID 107885313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).