(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine

C15H14BrF2N — CID 81381728

IUPAC(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1cc(F)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C15H14BrF2N/c1-10(11-3-2-4-13(16)7-11)19-9-12-8-14(17)5-6-15(12)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyOMAHUOVSBFLCQM-JTQLQIEISA-N
MW326.18 g/mol
LogP4.58
Rot. Bonds4

About (1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine

(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine (PubChem CID 81381728) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is (1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
PubChem CID81381728
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
SMILESC[C@H](NCc1cc(F)ccc1F)c1cccc(Br)c1
InChIInChI=1S/C15H14BrF2N/c1-10(11-3-2-4-13(16)7-11)19-9-12-8-14(17)5-6-15(12)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1
InChIKeyOMAHUOVSBFLCQM-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

(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81381880
1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
CID 103792453
3-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]-4-fluorobenzonitrile
CID 81382101
1-(3,4-difluorophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43680952
N-[(5-chloro-2-fluorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115761361
(1R)-N-[(2-bromo-5-fluorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81360440
N-[(5-bromo-2-methoxyphenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 43217110
N-[(4-bromo-2-chlorophenyl)methyl]-1-(3-fluorophenyl)ethanamine
CID 115598223
1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine
CID 114452325
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 81372333
(1R)-1-(3-bromophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81371674
(1S)-1-(3-chlorophenyl)-N-[(2,4-difluorophenyl)methyl]ethanamine
CID 28649455

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine (CID 81381728) is (1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine is C[C@H](NCc1cc(F)ccc1F)c1cccc(Br)c1.
What is the InChIKey of (1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
The InChIKey is OMAHUOVSBFLCQM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-10(11-3-2-4-13(16)7-11)19-9-12-8-14(17)5-6-15(12)18/h2-8,10,19H,9H2,1H3/t10-/m0/s1.
What are the key properties of (1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine?
(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]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)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine is sourced from PubChem (CID 81381728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).