1-(4-bromophenyl)cyclobutan-1-amine;hydrochloride

C10H13BrClN — CID 45480509

IUPAC1-(4-bromophenyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C10H12BrN.ClH/c11-9-4-2-8(3-5-9)10(12)6-1-7-10;/h2-5H,1,6-7,12H2;1H
InChIKeyMBVNGJIDWFRMRW-UHFFFAOYSA-N
MW262.58 g/mol
LogP3.21
Rot. Bonds1

About 1-(4-bromophenyl)cyclobutan-1-amine;hydrochloride

1-(4-bromophenyl)cyclobutan-1-amine;hydrochloride (PubChem CID 45480509) has the molecular formula C10H13BrClN and a molecular weight of 262.58 g/mol. Its IUPAC name is 1-(4-bromophenyl)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)cyclobutan-1-amine;hydrochloride
PubChem CID45480509
Molecular FormulaC10H13BrClN
Molecular Weight262.58 g/mol
Exact Mass260.99
IUPAC Name1-(4-bromophenyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(Br)cc2)CCC1
InChIInChI=1S/C10H12BrN.ClH/c11-9-4-2-8(3-5-9)10(12)6-1-7-10;/h2-5H,1,6-7,12H2;1H
InChIKeyMBVNGJIDWFRMRW-UHFFFAOYSA-N
XLogP3.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.58
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)cyclobutan-1-amine;hydrochloride (CID 45480509) is 1-(4-bromophenyl)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)cyclobutan-1-amine;hydrochloride is Cl.NC1(c2ccc(Br)cc2)CCC1.
What is the InChIKey of 1-(4-bromophenyl)cyclobutan-1-amine;hydrochloride?
The InChIKey is MBVNGJIDWFRMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN.ClH/c11-9-4-2-8(3-5-9)10(12)6-1-7-10;/h2-5H,1,6-7,12H2;1H.
What are the key properties of 1-(4-bromophenyl)cyclobutan-1-amine;hydrochloride?
1-(4-bromophenyl)cyclobutan-1-amine;hydrochloride has a molecular weight of 262.58 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 45480509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).