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

C15H13BrF3N — CID 103792453

IUPAC1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)c(F)cc1F)c1cccc(Br)c1
InChIInChI=1S/C15H13BrF3N/c1-9(10-3-2-4-12(16)5-10)20-8-11-6-14(18)15(19)7-13(11)17/h2-7,9,20H,8H2,1H3
InChIKeyYGOOLHKYACLZTN-UHFFFAOYSA-N
MW344.17 g/mol
LogP4.72
Rot. Bonds4

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

1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine (PubChem CID 103792453) has the molecular formula C15H13BrF3N and a molecular weight of 344.17 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
PubChem CID103792453
Molecular FormulaC15H13BrF3N
Molecular Weight344.17 g/mol
Exact Mass343.02
IUPAC Name1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine
SMILESCC(NCc1cc(F)c(F)cc1F)c1cccc(Br)c1
InChIInChI=1S/C15H13BrF3N/c1-9(10-3-2-4-12(16)5-10)20-8-11-6-14(18)15(19)7-13(11)17/h2-7,9,20H,8H2,1H3
InChIKeyYGOOLHKYACLZTN-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.17
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(1S)-1-(3-bromophenyl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 81381728
3-[[[(1R)-1-(3-bromophenyl)ethyl]amino]methyl]-4-fluorobenzonitrile
CID 81382101
(1R)-N-[(2-bromo-4-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81381880
(1R)-1-(3-bromophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 81371674
(1S)-N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-bromophenyl)ethanamine
CID 81437241
(1R)-N-[(4-bromo-2-fluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376064
N-[(3-bromophenyl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 43221580
4-[[1-(3-bromophenyl)ethylamino]methyl]benzene-1,2,3-triol
CID 103953130
(1R)-1-(3-bromophenyl)-N-[[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 29281708
(2R)-1-[[(1S)-1-(3-bromophenyl)ethyl]amino]propan-2-ol
CID 93082223
N-[1-(3-bromophenyl)ethyl]-2,2,2-trifluoroethanamine
CID 24697682
2-[[1-(3-bromophenyl)ethylamino]methyl]benzonitrile
CID 54896298

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine?
The IUPAC name of 1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine (CID 103792453) is 1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine is CC(NCc1cc(F)c(F)cc1F)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine?
The InChIKey is YGOOLHKYACLZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF3N/c1-9(10-3-2-4-12(16)5-10)20-8-11-6-14(18)15(19)7-13(11)17/h2-7,9,20H,8H2,1H3.
What are the key properties of 1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine?
1-(3-bromophenyl)-N-[(2,4,5-trifluorophenyl)methyl]ethanamine has a molecular weight of 344.17 g/mol, XLogP of 4.72, 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-[(2,4,5-trifluorophenyl)methyl]ethanamine is sourced from PubChem (CID 103792453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).