1-(3-bromophenyl)cyclobutan-1-amine

C10H12BrN — CID 43345659

IUPAC1-(3-bromophenyl)cyclobutan-1-amine
SMILESNC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C10H12BrN/c11-9-4-1-3-8(7-9)10(12)5-2-6-10/h1,3-4,7H,2,5-6,12H2
InChIKeyWIXMLWFYSVFSNY-UHFFFAOYSA-N
MW226.12 g/mol
LogP2.79
Rot. Bonds1

About 1-(3-bromophenyl)cyclobutan-1-amine

1-(3-bromophenyl)cyclobutan-1-amine (PubChem CID 43345659) has the molecular formula C10H12BrN and a molecular weight of 226.12 g/mol. Its IUPAC name is 1-(3-bromophenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)cyclobutan-1-amine
PubChem CID43345659
Molecular FormulaC10H12BrN
Molecular Weight226.12 g/mol
Exact Mass225.02
IUPAC Name1-(3-bromophenyl)cyclobutan-1-amine
SMILESNC1(c2cccc(Br)c2)CCC1
InChIInChI=1S/C10H12BrN/c11-9-4-1-3-8(7-9)10(12)5-2-6-10/h1,3-4,7H,2,5-6,12H2
InChIKeyWIXMLWFYSVFSNY-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)cyclobutan-1-amine?
The IUPAC name of 1-(3-bromophenyl)cyclobutan-1-amine (CID 43345659) is 1-(3-bromophenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)cyclobutan-1-amine is NC1(c2cccc(Br)c2)CCC1.
What is the InChIKey of 1-(3-bromophenyl)cyclobutan-1-amine?
The InChIKey is WIXMLWFYSVFSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN/c11-9-4-1-3-8(7-9)10(12)5-2-6-10/h1,3-4,7H,2,5-6,12H2.
What are the key properties of 1-(3-bromophenyl)cyclobutan-1-amine?
1-(3-bromophenyl)cyclobutan-1-amine has a molecular weight of 226.12 g/mol, XLogP of 2.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)cyclobutan-1-amine is sourced from PubChem (CID 43345659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).