4-bromo-3-cyclobutylaniline

C10H12BrN — CID 171498298

IUPAC4-bromo-3-cyclobutylaniline
SMILESNc1ccc(Br)c(C2CCC2)c1
InChIInChI=1S/C10H12BrN/c11-10-5-4-8(12)6-9(10)7-2-1-3-7/h4-7H,1-3,12H2
InChIKeyNKZARZVTHOFTNX-UHFFFAOYSA-N
MW226.12 g/mol
LogP3.30
Rot. Bonds1

About 4-bromo-3-cyclobutylaniline

4-bromo-3-cyclobutylaniline (PubChem CID 171498298) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 4-bromo-3-cyclobutylaniline.

Molecular Properties

Compound Name4-bromo-3-cyclobutylaniline
PubChem CID171498298
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name4-bromo-3-cyclobutylaniline
SMILESNc1ccc(Br)c(C2CCC2)c1
InChIInChI=1S/C10H12BrN/c11-10-5-4-8(12)6-9(10)7-2-1-3-7/h4-7H,1-3,12H2
InChIKeyNKZARZVTHOFTNX-UHFFFAOYSA-N
XLogP3.30
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.12
LogP ≤ 53.30
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

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CID 57027381
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CID 117104268
4-amino-2-cyclohexylphenol
CID 4606632
4-bromo-3-cyclohexylbenzenesulfonamide
CID 142775607
N-(4-amino-2-cyclopentylphenyl)hydroxylamine
CID 155238510
4-bromo-3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)aniline
CID 113281173
2-bromo-4-cyclohexylthiophen-3-amine
CID 82380137
4-bromo-2-cyclohexylaniline
CID 117104255
1-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-5-amine
CID 11958957
4-bromo-3-[(2,6-dimethylpiperidin-1-yl)methyl]aniline
CID 113281280
2,6-di(cyclobutyl)aniline
CID 172550384

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-cyclobutylaniline?
The IUPAC name of 4-bromo-3-cyclobutylaniline (CID 171498298) is 4-bromo-3-cyclobutylaniline.
What is the SMILES notation for 4-bromo-3-cyclobutylaniline?
The canonical SMILES for 4-bromo-3-cyclobutylaniline is Nc1ccc(Br)c(C2CCC2)c1.
What is the InChIKey of 4-bromo-3-cyclobutylaniline?
The InChIKey is NKZARZVTHOFTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c11-10-5-4-8(12)6-9(10)7-2-1-3-7/h4-7H,1-3,12H2.
What are the key properties of 4-bromo-3-cyclobutylaniline?
4-bromo-3-cyclobutylaniline has a molecular weight of 226.12 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-cyclobutylaniline is sourced from PubChem (CID 171498298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).