5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline

C15H14BrF2N — CID 102853196

IUPAC5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline
SMILESCC(CNc1cc(Br)c(F)cc1F)c1ccccc1
InChIInChI=1S/C15H14BrF2N/c1-10(11-5-3-2-4-6-11)9-19-15-7-12(16)13(17)8-14(15)18/h2-8,10,19H,9H2,1H3
InChIKeyGXLUEUKYBZKHNM-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.94
Rot. Bonds4

About 5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline

5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline (PubChem CID 102853196) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline.

Molecular Properties

Compound Name5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline
PubChem CID102853196
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline
SMILESCC(CNc1cc(Br)c(F)cc1F)c1ccccc1
InChIInChI=1S/C15H14BrF2N/c1-10(11-5-3-2-4-6-11)9-19-15-7-12(16)13(17)8-14(15)18/h2-8,10,19H,9H2,1H3
InChIKeyGXLUEUKYBZKHNM-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
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

2,4-difluoro-5-nitro-N-(2-phenylpropyl)aniline
CID 43725067
4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline
CID 65470059
3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide
CID 115576985
4-fluoro-3-(2-phenylpropylamino)benzoic acid
CID 43728030
2-(5-bromo-2,4-difluoroanilino)-1-(3-bromophenyl)ethanol
CID 102853410
5-bromo-2,4-difluoro-N-(2-methylpentyl)aniline
CID 102852837
2-fluoro-6-(2-phenylpropylamino)benzonitrile
CID 43399520
3-bromo-4-(2-phenylpropylamino)benzonitrile
CID 43722644
4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine
CID 104591215
5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline
CID 107286537
2-(5-bromo-2,4-difluoroanilino)-N-(3-methylbutan-2-yl)acetamide
CID 102847113
(2S)-3-(5-bromo-2,4-difluoroanilino)propane-1,2-diol
CID 102853500

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline?
The IUPAC name of 5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline (CID 102853196) is 5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline.
What is the SMILES notation for 5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline?
The canonical SMILES for 5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline is CC(CNc1cc(Br)c(F)cc1F)c1ccccc1.
What is the InChIKey of 5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline?
The InChIKey is GXLUEUKYBZKHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-10(11-5-3-2-4-6-11)9-19-15-7-12(16)13(17)8-14(15)18/h2-8,10,19H,9H2,1H3.
What are the key properties of 5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline?
5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline has a molecular weight of 326.18 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline is sourced from PubChem (CID 102853196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).