4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline

C15H14BrF2N — CID 65470059

IUPAC4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline
SMILESCC(CNc1c(F)cc(Br)cc1F)c1ccccc1
InChIInChI=1S/C15H14BrF2N/c1-10(11-5-3-2-4-6-11)9-19-15-13(17)7-12(16)8-14(15)18/h2-8,10,19H,9H2,1H3
InChIKeyYYVQQZPNIMHYBI-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.94
Rot. Bonds4

About 4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline

4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline (PubChem CID 65470059) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline.

Molecular Properties

Compound Name4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline
PubChem CID65470059
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline
SMILESCC(CNc1c(F)cc(Br)cc1F)c1ccccc1
InChIInChI=1S/C15H14BrF2N/c1-10(11-5-3-2-4-6-11)9-19-15-13(17)7-12(16)8-14(15)18/h2-8,10,19H,9H2,1H3
InChIKeyYYVQQZPNIMHYBI-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

Analyze 4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-2,6-difluoro-N-(3-methyl-2-phenylbutyl)aniline
CID 107876218
4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline
CID 65468716
3-(4-bromo-2,6-difluoroanilino)-2-phenylpropanenitrile
CID 65467468
5-bromo-2,4-difluoro-N-(2-phenylpropyl)aniline
CID 102853196
4-bromo-2,6-difluoro-N-(2-methylbutyl)aniline
CID 65468335
2,4,6-trimethyl-N-(2-phenylpropyl)aniline
CID 55192336
N-benzyl-4-bromo-2,6-difluoroaniline
CID 65469115
4-bromo-N-(2-ethylbutyl)-2,6-difluoroaniline
CID 65467183
4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9089971
5-bromo-N-(2-phenylpropyl)-2-(trifluoromethyl)aniline
CID 107286537
2,6-difluoro-1-N-(3-phenylbutyl)benzene-1,4-diamine
CID 62986800
3-bromo-4-iodo-N-(2-phenylpropyl)aniline
CID 114261902

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline?
The IUPAC name of 4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline (CID 65470059) is 4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline.
What is the SMILES notation for 4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline?
The canonical SMILES for 4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline is CC(CNc1c(F)cc(Br)cc1F)c1ccccc1.
What is the InChIKey of 4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline?
The InChIKey is YYVQQZPNIMHYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-10(11-5-3-2-4-6-11)9-19-15-13(17)7-12(16)8-14(15)18/h2-8,10,19H,9H2,1H3.
What are the key properties of 4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline?
4-bromo-2,6-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 4-bromo-2,6-difluoro-N-(2-phenylpropyl)aniline is sourced from PubChem (CID 65470059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).