1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine

C15H14F3N — CID 105373640

IUPAC1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F3N/c1-9-2-4-12(16)6-11(9)8-15(19)10-3-5-13(17)14(18)7-10/h2-7,15H,8,19H2,1H3
InChIKeyCONYBUVUIZIHMH-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.65
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine

1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine (PubChem CID 105373640) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
PubChem CID105373640
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
SMILESCc1ccc(F)cc1CC(N)c1ccc(F)c(F)c1
InChIInChI=1S/C15H14F3N/c1-9-2-4-12(16)6-11(9)8-15(19)10-3-5-13(17)14(18)7-10/h2-7,15H,8,19H2,1H3
InChIKeyCONYBUVUIZIHMH-UHFFFAOYSA-N
XLogP3.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chloro-3-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 107995696
1-(3,5-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373778
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372805
2-(2-chloro-5-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanamine
CID 102618457
2-(5-fluoro-2-methylphenyl)-1-naphthalen-2-ylethanamine
CID 105373838
1-(4-tert-butylphenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105376976
4-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylaniline
CID 105377477
1-(3-bromo-4-chlorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374267
2-(4-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanamine
CID 105055258
1-(5-bromo-2-fluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374445
1-(3-fluoro-4-methylphenyl)-2-(2-methoxyphenyl)ethanamine
CID 61078516
1-(3,4-dimethylphenyl)-2-(4-fluorophenyl)ethanamine
CID 43149151

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine (CID 105373640) is 1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine is Cc1ccc(F)cc1CC(N)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
The InChIKey is CONYBUVUIZIHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-9-2-4-12(16)6-11(9)8-15(19)10-3-5-13(17)14(18)7-10/h2-7,15H,8,19H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine?
1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine has a molecular weight of 265.28 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-(5-fluoro-2-methylphenyl)ethanamine is sourced from PubChem (CID 105373640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).