1-(2-chlorophenyl)cyclobutan-1-amine;hydrochloride

C10H13Cl2N — CID 53256946

IUPAC1-(2-chlorophenyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2ccccc2Cl)CCC1
InChIInChI=1S/C10H12ClN.ClH/c11-9-5-2-1-4-8(9)10(12)6-3-7-10;/h1-2,4-5H,3,6-7,12H2;1H
InChIKeyKKBTUTICMYPLQA-UHFFFAOYSA-N
MW218.13 g/mol
LogP3.10
Rot. Bonds1

About 1-(2-chlorophenyl)cyclobutan-1-amine;hydrochloride

1-(2-chlorophenyl)cyclobutan-1-amine;hydrochloride (PubChem CID 53256946) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is 1-(2-chlorophenyl)cyclobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-chlorophenyl)cyclobutan-1-amine;hydrochloride
PubChem CID53256946
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name1-(2-chlorophenyl)cyclobutan-1-amine;hydrochloride
SMILESCl.NC1(c2ccccc2Cl)CCC1
InChIInChI=1S/C10H12ClN.ClH/c11-9-5-2-1-4-8(9)10(12)6-3-7-10;/h1-2,4-5H,3,6-7,12H2;1H
InChIKeyKKBTUTICMYPLQA-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)cyclobutan-1-amine;hydrochloride?
The IUPAC name of 1-(2-chlorophenyl)cyclobutan-1-amine;hydrochloride (CID 53256946) is 1-(2-chlorophenyl)cyclobutan-1-amine;hydrochloride.
What is the SMILES notation for 1-(2-chlorophenyl)cyclobutan-1-amine;hydrochloride?
The canonical SMILES for 1-(2-chlorophenyl)cyclobutan-1-amine;hydrochloride is Cl.NC1(c2ccccc2Cl)CCC1.
What is the InChIKey of 1-(2-chlorophenyl)cyclobutan-1-amine;hydrochloride?
The InChIKey is KKBTUTICMYPLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN.ClH/c11-9-5-2-1-4-8(9)10(12)6-3-7-10;/h1-2,4-5H,3,6-7,12H2;1H.
What are the key properties of 1-(2-chlorophenyl)cyclobutan-1-amine;hydrochloride?
1-(2-chlorophenyl)cyclobutan-1-amine;hydrochloride has a molecular weight of 218.13 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)cyclobutan-1-amine;hydrochloride is sourced from PubChem (CID 53256946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).