2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline

C15H14BrF2N — CID 112676901

IUPAC2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
SMILESCCC(Nc1ccc(F)cc1Br)c1ccccc1F
InChIInChI=1S/C15H14BrF2N/c1-2-14(11-5-3-4-6-13(11)18)19-15-8-7-10(17)9-12(15)16/h3-9,14,19H,2H2,1H3
InChIKeyQRYKNIPNOGTEEM-UHFFFAOYSA-N
MW326.18 g/mol
LogP5.29
Rot. Bonds4

About 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline

2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline (PubChem CID 112676901) has the molecular formula C15H14BrF2N and a molecular weight of 326.18 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
PubChem CID112676901
Molecular FormulaC15H14BrF2N
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC Name2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
SMILESCCC(Nc1ccc(F)cc1Br)c1ccccc1F
InChIInChI=1S/C15H14BrF2N/c1-2-14(11-5-3-4-6-13(11)18)19-15-8-7-10(17)9-12(15)16/h3-9,14,19H,2H2,1H3
InChIKeyQRYKNIPNOGTEEM-UHFFFAOYSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.18
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-N-[1-(2-fluorophenyl)propyl]-2-iodoaniline
CID 112677053
2-bromo-5-chloro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 104722764
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
4-chloro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676887
2-fluoro-N-[1-(2-fluorophenyl)propyl]-4-methylaniline
CID 112676899
2,4-dichloro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676843
2-fluoro-N-[1-(2-fluorophenyl)propyl]-5-methylaniline
CID 112676903
2-bromo-4-fluoro-N-[1-(5-fluoro-2-pyridinyl)propyl]aniline
CID 112582924
2-bromo-N-[1-(2-bromophenyl)ethyl]-4-fluoroaniline
CID 43119409
3-fluoro-N-[1-(2-fluorophenyl)propyl]-2-methylaniline
CID 112676975
N-[1-(2-fluorophenyl)propyl]-2,5-dimethylaniline
CID 112676883
2-bromo-N-[1-(2-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 43119365

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline?
The IUPAC name of 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline (CID 112676901) is 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline.
What is the SMILES notation for 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline?
The canonical SMILES for 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline is CCC(Nc1ccc(F)cc1Br)c1ccccc1F.
What is the InChIKey of 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline?
The InChIKey is QRYKNIPNOGTEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2N/c1-2-14(11-5-3-4-6-13(11)18)19-15-8-7-10(17)9-12(15)16/h3-9,14,19H,2H2,1H3.
What are the key properties of 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline?
2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline has a molecular weight of 326.18 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[1-(2-fluorophenyl)propyl]aniline is sourced from PubChem (CID 112676901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).