(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine

C15H14BrF2N — CID 81380511

IUPAC(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(F)cc1Br)c1ccccc1F
InChIInChI=1S/C15H14BrF2N/c1-10(13-4-2-3-5-15(13)18)19-9-11-6-7-12(17)8-14(11)16/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyYYLAHYYVROFVNR-SNVBAGLBSA-N
MW326.18 g/mol
LogP4.58
Rot. Bonds4

About (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine

(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine (PubChem CID 81380511) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
PubChem CID81380511
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
SMILESC[C@@H](NCc1ccc(F)cc1Br)c1ccccc1F
InChIInChI=1S/C15H14BrF2N/c1-10(13-4-2-3-5-15(13)18)19-9-11-6-7-12(17)8-14(11)16/h2-8,10,19H,9H2,1H3/t10-/m1/s1
InChIKeyYYLAHYYVROFVNR-SNVBAGLBSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 81380519
N-[(2-bromo-4-methylphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 115556557
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81386984
(1R)-N-[(2-chloro-5-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 102615848
N-[(2-bromo-4-fluorophenyl)methyl]-1-(2,4-dichlorophenyl)ethanamine
CID 43095873
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348351
(1S)-1-(2-bromophenyl)-N-[(4-fluoro-2-methylphenyl)methyl]ethanamine
CID 81384034
N-[(2-bromo-5-fluorophenyl)methyl]-1-(2,5-difluorophenyl)ethanamine
CID 61016312
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81381880
1-(2,4-difluorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 43221741
N-[(3,5-dibromo-2-methoxyphenyl)methyl]-1-(2-fluorophenyl)ethanamine
CID 60658981
N-[(4,5-dibromofuran-2-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 62083622

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The IUPAC name of (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine (CID 81380511) is (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine.
What is the SMILES notation for (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The canonical SMILES for (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine is C[C@@H](NCc1ccc(F)cc1Br)c1ccccc1F.
What is the InChIKey of (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
The InChIKey is YYLAHYYVROFVNR-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-10(13-4-2-3-5-15(13)18)19-9-11-6-7-12(17)8-14(11)16/h2-8,10,19H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine?
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine has a molecular weight of 326.18 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(2-fluorophenyl)ethanamine is sourced from PubChem (CID 81380511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).