4-bromo-N-(1-phenylpentyl)aniline

C17H20BrN — CID 43762744

IUPAC4-bromo-N-(1-phenylpentyl)aniline
SMILESCCCCC(Nc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H20BrN/c1-2-3-9-17(14-7-5-4-6-8-14)19-16-12-10-15(18)11-13-16/h4-8,10-13,17,19H,2-3,9H2,1H3
InChIKeyKAKHTZRBVQQPEF-UHFFFAOYSA-N
MW318.26 g/mol
LogP5.79
Rot. Bonds6

About 4-bromo-N-(1-phenylpentyl)aniline

4-bromo-N-(1-phenylpentyl)aniline (PubChem CID 43762744) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 4-bromo-N-(1-phenylpentyl)aniline.

Molecular Properties

Compound Name4-bromo-N-(1-phenylpentyl)aniline
PubChem CID43762744
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name4-bromo-N-(1-phenylpentyl)aniline
SMILESCCCCC(Nc1ccc(Br)cc1)c1ccccc1
InChIInChI=1S/C17H20BrN/c1-2-3-9-17(14-7-5-4-6-8-14)19-16-12-10-15(18)11-13-16/h4-8,10-13,17,19H,2-3,9H2,1H3
InChIKeyKAKHTZRBVQQPEF-UHFFFAOYSA-N
XLogP5.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.26
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-phenylpentyl)aniline;hydrochloride
CID 44887283
4-methoxy-N-(1-phenylhexyl)aniline
CID 43766012
N-[1-(4-methoxyphenyl)pentyl]aniline
CID 102396772
4-fluoro-N-[1-(4-fluorophenyl)pentyl]aniline
CID 43107477
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
[(1S)-1-phenylpentyl]hydrazine
CID 124537681
3,5-difluoro-N-(1-phenylhexyl)aniline
CID 43765021
N-(1-phenylpentyl)-1-benzothiophen-5-amine
CID 43781957
3-fluoro-4-methoxy-N-(1-phenylpentyl)aniline
CID 43775902
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
4-bromo-N-(2-diphenylphosphoryl-1-phenylethyl)aniline
CID 141410491
2-fluoro-N-(1-phenylpentyl)aniline
CID 43763346

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(1-phenylpentyl)aniline?
The IUPAC name of 4-bromo-N-(1-phenylpentyl)aniline (CID 43762744) is 4-bromo-N-(1-phenylpentyl)aniline.
What is the SMILES notation for 4-bromo-N-(1-phenylpentyl)aniline?
The canonical SMILES for 4-bromo-N-(1-phenylpentyl)aniline is CCCCC(Nc1ccc(Br)cc1)c1ccccc1.
What is the InChIKey of 4-bromo-N-(1-phenylpentyl)aniline?
The InChIKey is KAKHTZRBVQQPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-2-3-9-17(14-7-5-4-6-8-14)19-16-12-10-15(18)11-13-16/h4-8,10-13,17,19H,2-3,9H2,1H3.
What are the key properties of 4-bromo-N-(1-phenylpentyl)aniline?
4-bromo-N-(1-phenylpentyl)aniline has a molecular weight of 318.26 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(1-phenylpentyl)aniline is sourced from PubChem (CID 43762744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).