2-(2-bromophenyl)cyclobutan-1-amine

C10H12BrN — CID 105483632

IUPAC2-(2-bromophenyl)cyclobutan-1-amine
SMILESNC1CCC1c1ccccc1Br
InChIInChI=1S/C10H12BrN/c11-9-4-2-1-3-7(9)8-5-6-10(8)12/h1-4,8,10H,5-6,12H2
InChIKeyJPOCKCDNEGCOIM-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.65
Rot. Bonds1

About 2-(2-bromophenyl)cyclobutan-1-amine

2-(2-bromophenyl)cyclobutan-1-amine (PubChem CID 105483632) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 2-(2-bromophenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name2-(2-bromophenyl)cyclobutan-1-amine
PubChem CID105483632
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name2-(2-bromophenyl)cyclobutan-1-amine
SMILESNC1CCC1c1ccccc1Br
InChIInChI=1S/C10H12BrN/c11-9-4-2-1-3-7(9)8-5-6-10(8)12/h1-4,8,10H,5-6,12H2
InChIKeyJPOCKCDNEGCOIM-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,2S)-2-(2-bromophenyl)cyclopropan-1-amine
CID 93299622
2-(2-cyclobutylphenyl)cyclobutan-1-amine
CID 114607226
[(1R,2R)-2-(2-bromophenyl)cyclopropyl]methanamine;hydrochloride
CID 44572752
1-bromo-2-(2-fluorocyclopropyl)benzene
CID 115028959
1-bromo-2-[(1S,2S)-2-methylcyclopropyl]benzene
CID 99867115
5-amino-4-(2-bromophenyl)piperidin-2-one
CID 82625426
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
[4-(2-bromophenyl)-1-methylpyrrolidin-3-yl]methanamine
CID 82625445
1-[(1S,2S)-2-(2-bromophenyl)cyclopropyl]-N-methylmethanamine
CID 94558414
(1R,5R,6R)-6-(2-bromophenyl)-3-azabicyclo[3.2.0]heptane
CID 125455003
(3R)-3-(2-bromophenyl)pyrrolidine
CID 95447261
2-(2-fluorophenyl)cyclopentan-1-amine
CID 62605662

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)cyclobutan-1-amine?
The IUPAC name of 2-(2-bromophenyl)cyclobutan-1-amine (CID 105483632) is 2-(2-bromophenyl)cyclobutan-1-amine.
What is the SMILES notation for 2-(2-bromophenyl)cyclobutan-1-amine?
The canonical SMILES for 2-(2-bromophenyl)cyclobutan-1-amine is NC1CCC1c1ccccc1Br.
What is the InChIKey of 2-(2-bromophenyl)cyclobutan-1-amine?
The InChIKey is JPOCKCDNEGCOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c11-9-4-2-1-3-7(9)8-5-6-10(8)12/h1-4,8,10H,5-6,12H2.
What are the key properties of 2-(2-bromophenyl)cyclobutan-1-amine?
2-(2-bromophenyl)cyclobutan-1-amine has a molecular weight of 226.12 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)cyclobutan-1-amine is sourced from PubChem (CID 105483632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).