1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine

C15H14BrClFN — CID 114452325

IUPAC1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)cc(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C15H14BrClFN/c1-10(12-3-2-4-13(16)7-12)19-9-11-5-14(17)8-15(18)6-11/h2-8,10,19H,9H2,1H3
InChIKeyWGBJALSKXPKRFO-UHFFFAOYSA-N
MW342.64 g/mol
LogP5.09
Rot. Bonds4

About 1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine

1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine (PubChem CID 114452325) has the molecular formula C15H14BrClFN and a molecular weight of 342.64 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine
PubChem CID114452325
Molecular FormulaC15H14BrClFN
Molecular Weight342.64 g/mol
Exact Mass341.00
IUPAC Name1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)cc(Cl)c1)c1cccc(Br)c1
InChIInChI=1S/C15H14BrClFN/c1-10(12-3-2-4-13(16)7-12)19-9-11-5-14(17)8-15(18)6-11/h2-8,10,19H,9H2,1H3
InChIKeyWGBJALSKXPKRFO-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.64
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-N-[(3,4-dichlorophenyl)methyl]ethanamine
CID 43426655
(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 81381728
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81437241
1-(3-chlorophenyl)-N-[(3-fluorophenyl)methyl]ethanamine
CID 43181407
(1S)-N-[(3,5-dichlorophenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81363727
(1S)-1-(3-bromophenyl)-N-[[4-(2-methylpropyl)phenyl]methyl]ethanamine
CID 81382162
(1R)-N-[(3-bromo-5-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81373751
1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115623666
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
N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43221580
(1S)-N-[(4-bromophenyl)methyl]-1-(3-chlorophenyl)ethanamine
CID 28649443

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine (CID 114452325) is 1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine is CC(NCc1cc(F)cc(Cl)c1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine?
The InChIKey is WGBJALSKXPKRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClFN/c1-10(12-3-2-4-13(16)7-12)19-9-11-5-14(17)8-15(18)6-11/h2-8,10,19H,9H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine?
1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine has a molecular weight of 342.64 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(3-chloro-5-fluorophenyl)methyl]ethanamine is sourced from PubChem (CID 114452325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).