4-bromo-2-(3-phenylpropyl)aniline

C15H16BrN — CID 58164408

IUPAC4-bromo-2-(3-phenylpropyl)aniline
SMILESNc1ccc(Br)cc1CCCc1ccccc1
InChIInChI=1S/C15H16BrN/c16-14-9-10-15(17)13(11-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8,17H2
InChIKeyNHGGUIMAQKCDEX-UHFFFAOYSA-N
MW290.20 g/mol
LogP4.21
Rot. Bonds4

About 4-bromo-2-(3-phenylpropyl)aniline

4-bromo-2-(3-phenylpropyl)aniline (PubChem CID 58164408) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is 4-bromo-2-(3-phenylpropyl)aniline.

Molecular Properties

Compound Name4-bromo-2-(3-phenylpropyl)aniline
PubChem CID58164408
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC Name4-bromo-2-(3-phenylpropyl)aniline
SMILESNc1ccc(Br)cc1CCCc1ccccc1
InChIInChI=1S/C15H16BrN/c16-14-9-10-15(17)13(11-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8,17H2
InChIKeyNHGGUIMAQKCDEX-UHFFFAOYSA-N
XLogP4.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-(3-phenylpropyl)aniline
CID 67787992
4-bromo-2-butylaniline
CID 23053370
4-bromo-2-(3-methoxypropyl)aniline
CID 58164300
4-bromo-2-(3-phenylpropylsulfinyl)aniline
CID 81206670
1-bromo-3-(6-phenylhexyl)benzene
CID 145197049
1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
4-bromo-1-N-(2-phenylethyl)benzene-1,2-diamine
CID 28903831
5-bromo-2-(2-phenylethoxy)aniline
CID 26190375
2-amino-4-bromo-N-(3-phenylpropyl)benzamide
CID 79720097
4-bromo-2-N-(4-phenylbutan-2-yl)benzene-1,2-diamine
CID 65342611
[5-bromo-2-(2-phenylethoxy)phenyl]methanamine
CID 28981744

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(3-phenylpropyl)aniline?
The IUPAC name of 4-bromo-2-(3-phenylpropyl)aniline (CID 58164408) is 4-bromo-2-(3-phenylpropyl)aniline.
What is the SMILES notation for 4-bromo-2-(3-phenylpropyl)aniline?
The canonical SMILES for 4-bromo-2-(3-phenylpropyl)aniline is Nc1ccc(Br)cc1CCCc1ccccc1.
What is the InChIKey of 4-bromo-2-(3-phenylpropyl)aniline?
The InChIKey is NHGGUIMAQKCDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c16-14-9-10-15(17)13(11-14)8-4-7-12-5-2-1-3-6-12/h1-3,5-6,9-11H,4,7-8,17H2.
What are the key properties of 4-bromo-2-(3-phenylpropyl)aniline?
4-bromo-2-(3-phenylpropyl)aniline has a molecular weight of 290.20 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(3-phenylpropyl)aniline is sourced from PubChem (CID 58164408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).