3-(2-bromophenyl)-2,2-dimethylcyclobutan-1-amine

C12H16BrN — CID 81415528

IUPAC3-(2-bromophenyl)-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(N)CC1c1ccccc1Br
InChIInChI=1S/C12H16BrN/c1-12(2)9(7-11(12)14)8-5-3-4-6-10(8)13/h3-6,9,11H,7,14H2,1-2H3
InChIKeyOSSWQAJZKFHSGC-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.29
Rot. Bonds1

About 3-(2-bromophenyl)-2,2-dimethylcyclobutan-1-amine

3-(2-bromophenyl)-2,2-dimethylcyclobutan-1-amine (PubChem CID 81415528) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 3-(2-bromophenyl)-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2-bromophenyl)-2,2-dimethylcyclobutan-1-amine
PubChem CID81415528
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name3-(2-bromophenyl)-2,2-dimethylcyclobutan-1-amine
SMILESCC1(C)C(N)CC1c1ccccc1Br
InChIInChI=1S/C12H16BrN/c1-12(2)9(7-11(12)14)8-5-3-4-6-10(8)13/h3-6,9,11H,7,14H2,1-2H3
InChIKeyOSSWQAJZKFHSGC-UHFFFAOYSA-N
XLogP3.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromophenyl)-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(2-bromophenyl)-2,2-dimethylcyclobutan-1-amine (CID 81415528) is 3-(2-bromophenyl)-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2-bromophenyl)-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(2-bromophenyl)-2,2-dimethylcyclobutan-1-amine is CC1(C)C(N)CC1c1ccccc1Br.
What is the InChIKey of 3-(2-bromophenyl)-2,2-dimethylcyclobutan-1-amine?
The InChIKey is OSSWQAJZKFHSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c1-12(2)9(7-11(12)14)8-5-3-4-6-10(8)13/h3-6,9,11H,7,14H2,1-2H3.
What are the key properties of 3-(2-bromophenyl)-2,2-dimethylcyclobutan-1-amine?
3-(2-bromophenyl)-2,2-dimethylcyclobutan-1-amine has a molecular weight of 254.17 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromophenyl)-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 81415528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).