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

C15H14BrF2N — CID 81347202

IUPAC(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESC[C@H](NCc1ccc(Br)cc1F)c1ccc(F)cc1
InChIInChI=1S/C15H14BrF2N/c1-10(11-3-6-14(17)7-4-11)19-9-12-2-5-13(16)8-15(12)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyAYZFJWNWIJJHQR-JTQLQIEISA-N
MW326.18 g/mol
LogP4.58
Rot. Bonds4

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

(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine (PubChem CID 81347202) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is (1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
PubChem CID81347202
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
SMILESC[C@H](NCc1ccc(Br)cc1F)c1ccc(F)cc1
InChIInChI=1S/C15H14BrF2N/c1-10(11-3-6-14(17)7-4-11)19-9-12-2-5-13(16)8-15(12)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyAYZFJWNWIJJHQR-JTQLQIEISA-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

N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-ethylphenyl)ethanamine
CID 43221510
4-bromo-2-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]phenol
CID 51981416
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81348351
N-[(2,4-difluorophenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221166
N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-bromo-4-methoxyphenyl)ethanamine
CID 43230891
3-fluoro-4-[[[(1R)-1-(4-fluorophenyl)ethyl]amino]methyl]benzonitrile
CID 81347792
N-[(4-bromo-2-fluorophenyl)methyl]-3-methylbutan-2-amine
CID 43242831
(1R)-N-[(4-bromophenyl)methyl]-1-(4-fluorophenyl)ethanamine
CID 28622733
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376064
2-[[1-(4-bromophenyl)ethylamino]methyl]-4-fluorophenol
CID 103947939
1-(4-bromophenyl)-N-[(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 114842202
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375118

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The IUPAC name of (1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine (CID 81347202) is (1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The canonical SMILES for (1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine is C[C@H](NCc1ccc(Br)cc1F)c1ccc(F)cc1.
What is the InChIKey of (1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
The InChIKey is AYZFJWNWIJJHQR-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-10(11-3-6-14(17)7-4-11)19-9-12-2-5-13(16)8-15(12)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine?
(1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-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 (1S)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(4-fluorophenyl)ethanamine is sourced from PubChem (CID 81347202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).