4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline

C15H14BrF2N — CID 114829992

IUPAC4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1cccc(F)c1)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C15H14BrF2N/c1-10(7-11-3-2-4-12(17)8-11)19-13-5-6-14(16)15(18)9-13/h2-6,8-10,19H,7H2,1H3
InChIKeyRWBQWUPAPCXODB-UHFFFAOYSA-N
MW326.18 g/mol
LogP4.77
Rot. Bonds4

About 4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline

4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline (PubChem CID 114829992) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline.

Molecular Properties

Compound Name4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
PubChem CID114829992
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
SMILESCC(Cc1cccc(F)c1)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C15H14BrF2N/c1-10(7-11-3-2-4-12(17)8-11)19-13-5-6-14(16)15(18)9-13/h2-6,8-10,19H,7H2,1H3
InChIKeyRWBQWUPAPCXODB-UHFFFAOYSA-N
XLogP4.77
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 ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 107598358
4-tert-butyl-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114827952
N-[1-(3-fluorophenyl)propan-2-yl]-1,3-benzodioxol-5-amine
CID 115916645
2-bromo-N-[1-(3-fluorophenyl)propan-2-yl]-4-methylaniline
CID 114827902
4-[1-(3-fluorophenyl)propan-2-ylamino]benzoic acid
CID 114828452
3-(difluoromethoxy)-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114828733
2-chloro-N-[1-(3-fluorophenyl)propan-2-yl]pyridin-4-amine
CID 114830495
2-chloro-4,6-difluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline
CID 114830635
2-[4-[1-(3-fluorophenyl)propan-2-ylamino]phenyl]acetamide
CID 115917629
N-[1-(2-bromophenyl)ethyl]-1-(3-fluorophenyl)propan-2-amine
CID 114828576
4-bromo-3-fluoro-N-(3-methylbutan-2-yl)aniline
CID 65436900
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 78981347

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
The IUPAC name of 4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline (CID 114829992) is 4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline.
What is the SMILES notation for 4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
The canonical SMILES for 4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline is CC(Cc1cccc(F)c1)Nc1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
The InChIKey is RWBQWUPAPCXODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-10(7-11-3-2-4-12(17)8-11)19-13-5-6-14(16)15(18)9-13/h2-6,8-10,19H,7H2,1H3.
What are the key properties of 4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline?
4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline has a molecular weight of 326.18 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-N-[1-(3-fluorophenyl)propan-2-yl]aniline is sourced from PubChem (CID 114829992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).