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

C15H14F3N — CID 60659047

IUPACN-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCc1c(F)cccc1F)c1ccccc1F
InChIInChI=1S/C15H14F3N/c1-10(11-5-2-3-6-13(11)16)19-9-12-14(17)7-4-8-15(12)18/h2-8,10,19H,9H2,1H3
InChIKeyRRIOEZHCTBGTMO-UHFFFAOYSA-N
MW265.28 g/mol
LogP3.95
Rot. Bonds4

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

N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 60659047) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound NameN-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
PubChem CID60659047
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC NameN-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESCC(NCc1c(F)cccc1F)c1ccccc1F
InChIInChI=1S/C15H14F3N/c1-10(11-5-2-3-6-13(11)16)19-9-12-14(17)7-4-8-15(12)18/h2-8,10,19H,9H2,1H3
InChIKeyRRIOEZHCTBGTMO-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

(1R)-N-[(2-chloro-3-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 103954659
1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051050
(1R)-N-[(2,3-dimethylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380739
N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659010
N-[(2-chlorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 43178075
N-[(2,6-difluorophenyl)methyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 43737410
N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
N-[(2,6-difluorophenyl)methyl]pentan-2-amine
CID 43177727
N-[(2,6-difluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 43182728
3-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanenitrile
CID 28728329
2-chloro-6-[[[(1R)-1-(2-fluorophenyl)ethyl]amino]methyl]phenol
CID 103940685
(1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine
CID 81379853

Frequently Asked Questions

What is the IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine (CID 60659047) is N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine is CC(NCc1c(F)cccc1F)c1ccccc1F.
What is the InChIKey of N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is RRIOEZHCTBGTMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-10(11-5-2-3-6-13(11)16)19-9-12-14(17)7-4-8-15(12)18/h2-8,10,19H,9H2,1H3.
What are the key properties of N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)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 N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 60659047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).