1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine

C15H14F3N — CID 43123250

IUPAC1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1cccc(F)c1)c1c(F)cccc1F
InChIInChI=1S/C15H14F3N/c1-10(15-13(17)6-3-7-14(15)18)19-9-11-4-2-5-12(16)8-11/h2-8,10,19H,9H2,1H3
InChIKeyXNGMIFGGBKIOJP-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.95
Rot. Bonds4

About 1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine

1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine (PubChem CID 43123250) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
PubChem CID43123250
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1cccc(F)c1)c1c(F)cccc1F
InChIInChI=1S/C15H14F3N/c1-10(15-13(17)6-3-7-14(15)18)19-9-11-4-2-5-12(16)8-11/h2-8,10,19H,9H2,1H3
InChIKeyXNGMIFGGBKIOJP-UHFFFAOYSA-N
XLogP3.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dichloro-3-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43545172
3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzonitrile
CID 60919228
(1R)-1-(4-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 28645160
3-[[1-(2,6-difluorophenyl)ethylamino]methyl]benzamide
CID 43664738
N-[(3-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43085072
(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683392
1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
1-(2-bromo-4-fluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 103776784
1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]propan-2-amine
CID 115592338
(1S)-N-[(3,4-difluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 28682654
N-[(3-bromophenyl)methyl]-1-(2-fluoro-6-methoxyphenyl)ethanamine
CID 115655771
4-[1-[(3-fluorophenyl)methylamino]ethyl]benzonitrile
CID 43123252

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine (CID 43123250) is 1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine is CC(NCc1cccc(F)c1)c1c(F)cccc1F.
What is the InChIKey of 1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine?
The InChIKey is XNGMIFGGBKIOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-10(15-13(17)6-3-7-14(15)18)19-9-11-4-2-5-12(16)8-11/h2-8,10,19H,9H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine?
1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine has a molecular weight of 265.28 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 43123250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).