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

C17H18BrF2N — CID 43555238

IUPAC5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
SMILESCCCCC(Nc1cc(Br)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C17H18BrF2N/c1-2-3-4-16(12-5-8-14(19)9-6-12)21-17-11-13(18)7-10-15(17)20/h5-11,16,21H,2-4H2,1H3
InChIKeyBUDIMVUJWIKZFV-UHFFFAOYSA-N
MW354.24 g/mol
LogP6.07
Rot. Bonds6

About 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline

5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline (PubChem CID 43555238) has the molecular formula C17H18BrF2N and a molecular weight of 354.24 g/mol. Its IUPAC name is 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline.

Molecular Properties

Compound Name5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
PubChem CID43555238
Molecular FormulaC17H18BrF2N
Molecular Weight354.24 g/mol
Exact Mass353.06
IUPAC Name5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
SMILESCCCCC(Nc1cc(Br)ccc1F)c1ccc(F)cc1
InChIInChI=1S/C17H18BrF2N/c1-2-3-4-16(12-5-8-14(19)9-6-12)21-17-11-13(18)7-10-15(17)20/h5-11,16,21H,2-4H2,1H3
InChIKeyBUDIMVUJWIKZFV-UHFFFAOYSA-N
XLogP6.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.24
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromo-2-fluoro-N-[1-(4-methylphenyl)propyl]aniline
CID 43555340
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
5-bromo-2-fluoro-N-heptan-2-ylaniline
CID 43555241
3,5-difluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43105701
2-fluoro-N-(1-phenylpentyl)aniline
CID 43763346
1-(4-fluorophenyl)pentylhydrazine
CID 53402329
4-ethyl-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43097077
4-bromo-N-[1-(4-chlorophenyl)butyl]-2-methylaniline
CID 43095521
3,4-dichloro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43099420
1-(4-fluorophenyl)-N-propan-2-ylpentan-1-amine
CID 43111233
4-fluoro-2-iodo-N-(1-phenylpentyl)aniline
CID 79769469
1-(4-fluorophenyl)-N-methoxypentan-1-amine
CID 82706495

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline?
The IUPAC name of 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline (CID 43555238) is 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline.
What is the SMILES notation for 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline?
The canonical SMILES for 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline is CCCCC(Nc1cc(Br)ccc1F)c1ccc(F)cc1.
What is the InChIKey of 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline?
The InChIKey is BUDIMVUJWIKZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrF2N/c1-2-3-4-16(12-5-8-14(19)9-6-12)21-17-11-13(18)7-10-15(17)20/h5-11,16,21H,2-4H2,1H3.
What are the key properties of 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline?
5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline has a molecular weight of 354.24 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline is sourced from PubChem (CID 43555238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).