1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine

C15H13F4N — CID 63051050

IUPAC1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)c(F)c(F)c1)c1ccccc1F
InChIInChI=1S/C15H13F4N/c1-9(11-4-2-3-5-12(11)16)20-8-10-6-13(17)15(19)14(18)7-10/h2-7,9,20H,8H2,1H3
InChIKeyJYXUKKMUVBAZEC-UHFFFAOYSA-N
MW283.27 g/mol
LogP4.09
Rot. Bonds4

About 1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine

1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine (PubChem CID 63051050) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
PubChem CID63051050
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)c(F)c(F)c1)c1ccccc1F
InChIInChI=1S/C15H13F4N/c1-9(11-4-2-3-5-12(11)16)20-8-10-6-13(17)15(19)14(18)7-10/h2-7,9,20H,8H2,1H3
InChIKeyJYXUKKMUVBAZEC-UHFFFAOYSA-N
XLogP4.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[(3-fluoro-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 63646240
N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 114452647
(1R)-N-[(3-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 104928542
(1R)-N-[(3-fluoro-4-methoxyphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81379771
N-[(4-bromophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659010
4-[[1-(2-fluorophenyl)ethylamino]methyl]benzene-1,2-diol
CID 60664100
N-[(2,6-difluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60659047
(1R)-1-(2-fluorophenyl)-N-(furan-3-ylmethyl)ethanamine
CID 81379853
(1R)-1-(2-fluorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]ethanamine
CID 81380322
1-(2-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 60928300
1-pyridin-2-yl-N-[(3,4,5-trifluorophenyl)methyl]ethanamine
CID 63051180
2-bromo-4-[[1-(2-fluorophenyl)ethylamino]methyl]phenol
CID 55025832

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine (CID 63051050) is 1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine is CC(NCc1cc(F)c(F)c(F)c1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine?
The InChIKey is JYXUKKMUVBAZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c1-9(11-4-2-3-5-12(11)16)20-8-10-6-13(17)15(19)14(18)7-10/h2-7,9,20H,8H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine?
1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine has a molecular weight of 283.27 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(3,4,5-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 63051050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).