6-[(2-chlorophenyl)methyl]bicyclo[3.1.0]hexan-6-amine

C13H16ClN — CID 79331696

IUPAC6-[(2-chlorophenyl)methyl]bicyclo[3.1.0]hexan-6-amine
SMILESNC1(Cc2ccccc2Cl)C2CCCC21
InChIInChI=1S/C13H16ClN/c14-12-7-2-1-4-9(12)8-13(15)10-5-3-6-11(10)13/h1-2,4,7,10-11H,3,5-6,8,15H2
InChIKeyVDOJZEHXWXMKGU-UHFFFAOYSA-N
MW221.73 g/mol
LogP3.01
Rot. Bonds2

About 6-[(2-chlorophenyl)methyl]bicyclo[3.1.0]hexan-6-amine

6-[(2-chlorophenyl)methyl]bicyclo[3.1.0]hexan-6-amine (PubChem CID 79331696) has the molecular formula C13H16ClN and a molecular weight of 221.73 g/mol. Its IUPAC name is 6-[(2-chlorophenyl)methyl]bicyclo[3.1.0]hexan-6-amine.

Molecular Properties

Compound Name6-[(2-chlorophenyl)methyl]bicyclo[3.1.0]hexan-6-amine
PubChem CID79331696
Molecular FormulaC13H16ClN
Molecular Weight221.73 g/mol
Exact Mass221.10
IUPAC Name6-[(2-chlorophenyl)methyl]bicyclo[3.1.0]hexan-6-amine
SMILESNC1(Cc2ccccc2Cl)C2CCCC21
InChIInChI=1S/C13H16ClN/c14-12-7-2-1-4-9(12)8-13(15)10-5-3-6-11(10)13/h1-2,4,7,10-11H,3,5-6,8,15H2
InChIKeyVDOJZEHXWXMKGU-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-chlorophenyl)methyl]bicyclo[3.1.0]hexan-6-amine?
The IUPAC name of 6-[(2-chlorophenyl)methyl]bicyclo[3.1.0]hexan-6-amine (CID 79331696) is 6-[(2-chlorophenyl)methyl]bicyclo[3.1.0]hexan-6-amine.
What is the SMILES notation for 6-[(2-chlorophenyl)methyl]bicyclo[3.1.0]hexan-6-amine?
The canonical SMILES for 6-[(2-chlorophenyl)methyl]bicyclo[3.1.0]hexan-6-amine is NC1(Cc2ccccc2Cl)C2CCCC21.
What is the InChIKey of 6-[(2-chlorophenyl)methyl]bicyclo[3.1.0]hexan-6-amine?
The InChIKey is VDOJZEHXWXMKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN/c14-12-7-2-1-4-9(12)8-13(15)10-5-3-6-11(10)13/h1-2,4,7,10-11H,3,5-6,8,15H2.
What are the key properties of 6-[(2-chlorophenyl)methyl]bicyclo[3.1.0]hexan-6-amine?
6-[(2-chlorophenyl)methyl]bicyclo[3.1.0]hexan-6-amine has a molecular weight of 221.73 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chlorophenyl)methyl]bicyclo[3.1.0]hexan-6-amine is sourced from PubChem (CID 79331696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).