N-[1-(4-bromophenyl)propyl]aniline

C15H16BrN — CID 11623427

IUPACN-[1-(4-bromophenyl)propyl]aniline
SMILESCCC(Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN/c1-2-15(12-8-10-13(16)11-9-12)17-14-6-4-3-5-7-14/h3-11,15,17H,2H2,1H3
InChIKeyKBWDEIOKZQFDOD-UHFFFAOYSA-N
MW290.20 g/mol
LogP5.01
Rot. Bonds4

About N-[1-(4-bromophenyl)propyl]aniline

N-[1-(4-bromophenyl)propyl]aniline (PubChem CID 11623427) has the molecular formula C15H16BrN and a molecular weight of 290.20 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)propyl]aniline.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)propyl]aniline
PubChem CID11623427
Molecular FormulaC15H16BrN
Molecular Weight290.20 g/mol
Exact Mass289.05
IUPAC NameN-[1-(4-bromophenyl)propyl]aniline
SMILESCCC(Nc1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C15H16BrN/c1-2-15(12-8-10-13(16)11-9-12)17-14-6-4-3-5-7-14/h3-11,15,17H,2H2,1H3
InChIKeyKBWDEIOKZQFDOD-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.20
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzylaniline
CID 66028
Benzenamine, 4,4'-methylenebis[N-(1-methylpropyl)-
CID 110640
Benzeneethanamine, N-phenyl-
CID 74443
N-(3-bromophenyl)-1-phenethyl-piperidin-4-amine
CID 52934003
N-benzyl-4-bromoaniline
CID 961575
(1-Phenyl-ethyl)-P-tolyl-amine
CID 263002
N-(Alpha-allylbenzyl)aniline
CID 478545
(3aS,6aR)-4-(4-bromophenyl)-5-[(4E)-oct-4-en-4-yl]-N-phenyl-1,2,3,3a,6,6a-hexahydropentalen-3a-amine
CID 24825423
Phenethylamine, 2-bromo-4-dimethylamino-alpha-methyl-, dihydrochloride
CID 3043617
N-Benzyl-3-bromoaniline
CID 9965096
Benzenepropanamine, N-phenyl-
CID 11735980
2-(4-Bromophenyl)-3-[4-[2-cyanoethyl(methyl)amino]phenyl]prop-2-enenitrile
CID 305297

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)propyl]aniline?
The IUPAC name of N-[1-(4-bromophenyl)propyl]aniline (CID 11623427) is N-[1-(4-bromophenyl)propyl]aniline.
What is the SMILES notation for N-[1-(4-bromophenyl)propyl]aniline?
The canonical SMILES for N-[1-(4-bromophenyl)propyl]aniline is CCC(Nc1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)propyl]aniline?
The InChIKey is KBWDEIOKZQFDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN/c1-2-15(12-8-10-13(16)11-9-12)17-14-6-4-3-5-7-14/h3-11,15,17H,2H2,1H3.
What are the key properties of N-[1-(4-bromophenyl)propyl]aniline?
N-[1-(4-bromophenyl)propyl]aniline has a molecular weight of 290.20 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)propyl]aniline is sourced from PubChem (CID 11623427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).