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

C11H15BrClN — CID 42959175

IUPAC1-(4-bromophenyl)cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C11H14BrN.ClH/c12-10-5-3-9(4-6-10)11(13)7-1-2-8-11;/h3-6H,1-2,7-8,13H2;1H
InChIKeyKDUWFLSBTKRNKX-UHFFFAOYSA-N
MW276.60 g/mol
LogP3.60
Rot. Bonds1

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

1-(4-bromophenyl)cyclopentan-1-amine;hydrochloride (PubChem CID 42959175) has the molecular formula C11H15BrClN and a molecular weight of 276.60 g/mol. Its IUPAC name is 1-(4-bromophenyl)cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(4-bromophenyl)cyclopentan-1-amine;hydrochloride
PubChem CID42959175
Molecular FormulaC11H15BrClN
Molecular Weight276.60 g/mol
Exact Mass275.01
IUPAC Name1-(4-bromophenyl)cyclopentan-1-amine;hydrochloride
SMILESCl.NC1(c2ccc(Br)cc2)CCCC1
InChIInChI=1S/C11H14BrN.ClH/c12-10-5-3-9(4-6-10)11(13)7-1-2-8-11;/h3-6H,1-2,7-8,13H2;1H
InChIKeyKDUWFLSBTKRNKX-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.60
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)cyclopentan-1-amine;hydrochloride?
The IUPAC name of 1-(4-bromophenyl)cyclopentan-1-amine;hydrochloride (CID 42959175) is 1-(4-bromophenyl)cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 1-(4-bromophenyl)cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 1-(4-bromophenyl)cyclopentan-1-amine;hydrochloride is Cl.NC1(c2ccc(Br)cc2)CCCC1.
What is the InChIKey of 1-(4-bromophenyl)cyclopentan-1-amine;hydrochloride?
The InChIKey is KDUWFLSBTKRNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN.ClH/c12-10-5-3-9(4-6-10)11(13)7-1-2-8-11;/h3-6H,1-2,7-8,13H2;1H.
What are the key properties of 1-(4-bromophenyl)cyclopentan-1-amine;hydrochloride?
1-(4-bromophenyl)cyclopentan-1-amine;hydrochloride has a molecular weight of 276.60 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 42959175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).