5-bromo-N-pentyl-2-phenylaniline

C17H20BrN — CID 156564317

IUPAC5-bromo-N-pentyl-2-phenylaniline
SMILESCCCCCNc1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C17H20BrN/c1-2-3-7-12-19-17-13-15(18)10-11-16(17)14-8-5-4-6-9-14/h4-6,8-11,13,19H,2-3,7,12H2,1H3
InChIKeyAFCNUFYLRWTCFR-UHFFFAOYSA-N
MW318.26 g/mol
LogP5.72
Rot. Bonds6

About 5-bromo-N-pentyl-2-phenylaniline

5-bromo-N-pentyl-2-phenylaniline (PubChem CID 156564317) has the molecular formula C17H20BrN and a molecular weight of 318.26 g/mol. Its IUPAC name is 5-bromo-N-pentyl-2-phenylaniline.

Molecular Properties

Compound Name5-bromo-N-pentyl-2-phenylaniline
PubChem CID156564317
Molecular FormulaC17H20BrN
Molecular Weight318.26 g/mol
Exact Mass317.08
IUPAC Name5-bromo-N-pentyl-2-phenylaniline
SMILESCCCCCNc1cc(Br)ccc1-c1ccccc1
InChIInChI=1S/C17H20BrN/c1-2-3-7-12-19-17-13-15(18)10-11-16(17)14-8-5-4-6-9-14/h4-6,8-11,13,19H,2-3,7,12H2,1H3
InChIKeyAFCNUFYLRWTCFR-UHFFFAOYSA-N
XLogP5.72
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 ≤ 55.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,5-dibromo-N-decylaniline
CID 63492917
5-bromo-N-methyl-2-phenylaniline
CID 69363671
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CID 81292359
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
4-bromo-N-heptyl-2-methylaniline
CID 43129195
2-(octadecylamino)-6-phenylphenol
CID 138395030
4-bromo-N-butyl-2-ethylaniline
CID 81291753
N-(5-bromo-2-phenylphenyl)acetamide
CID 139240765
4-(3-fluorophenyl)-3-(pentylamino)benzoic acid
CID 126635244
3-bromo-N-octylaniline
CID 43129310
N-[5-bromo-2-(4-bromophenyl)phenyl]decanamide
CID 46193338
5-bromo-2-methyl-N-(3-phenylpropyl)aniline
CID 43729393

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pentyl-2-phenylaniline?
The IUPAC name of 5-bromo-N-pentyl-2-phenylaniline (CID 156564317) is 5-bromo-N-pentyl-2-phenylaniline.
What is the SMILES notation for 5-bromo-N-pentyl-2-phenylaniline?
The canonical SMILES for 5-bromo-N-pentyl-2-phenylaniline is CCCCCNc1cc(Br)ccc1-c1ccccc1.
What is the InChIKey of 5-bromo-N-pentyl-2-phenylaniline?
The InChIKey is AFCNUFYLRWTCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN/c1-2-3-7-12-19-17-13-15(18)10-11-16(17)14-8-5-4-6-9-14/h4-6,8-11,13,19H,2-3,7,12H2,1H3.
What are the key properties of 5-bromo-N-pentyl-2-phenylaniline?
5-bromo-N-pentyl-2-phenylaniline has a molecular weight of 318.26 g/mol, XLogP of 5.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pentyl-2-phenylaniline is sourced from PubChem (CID 156564317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).