6-[3-(dimethylamino)phenyl]bicyclo[3.1.0]hexan-6-ol

C14H19NO — CID 79331149

IUPAC6-[3-(dimethylamino)phenyl]bicyclo[3.1.0]hexan-6-ol
SMILESCN(C)c1cccc(C2(O)C3CCCC32)c1
InChIInChI=1S/C14H19NO/c1-15(2)11-6-3-5-10(9-11)14(16)12-7-4-8-13(12)14/h3,5-6,9,12-13,16H,4,7-8H2,1-2H3
InChIKeyCCPRFNOEQJBCJH-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.37
Rot. Bonds2

About 6-[3-(dimethylamino)phenyl]bicyclo[3.1.0]hexan-6-ol

6-[3-(dimethylamino)phenyl]bicyclo[3.1.0]hexan-6-ol (PubChem CID 79331149) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 6-[3-(dimethylamino)phenyl]bicyclo[3.1.0]hexan-6-ol.

Molecular Properties

Compound Name6-[3-(dimethylamino)phenyl]bicyclo[3.1.0]hexan-6-ol
PubChem CID79331149
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name6-[3-(dimethylamino)phenyl]bicyclo[3.1.0]hexan-6-ol
SMILESCN(C)c1cccc(C2(O)C3CCCC32)c1
InChIInChI=1S/C14H19NO/c1-15(2)11-6-3-5-10(9-11)14(16)12-7-4-8-13(12)14/h3,5-6,9,12-13,16H,4,7-8H2,1-2H3
InChIKeyCCPRFNOEQJBCJH-UHFFFAOYSA-N
XLogP2.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)phenyl]bicyclo[3.1.0]hexan-6-ol?
The IUPAC name of 6-[3-(dimethylamino)phenyl]bicyclo[3.1.0]hexan-6-ol (CID 79331149) is 6-[3-(dimethylamino)phenyl]bicyclo[3.1.0]hexan-6-ol.
What is the SMILES notation for 6-[3-(dimethylamino)phenyl]bicyclo[3.1.0]hexan-6-ol?
The canonical SMILES for 6-[3-(dimethylamino)phenyl]bicyclo[3.1.0]hexan-6-ol is CN(C)c1cccc(C2(O)C3CCCC32)c1.
What is the InChIKey of 6-[3-(dimethylamino)phenyl]bicyclo[3.1.0]hexan-6-ol?
The InChIKey is CCPRFNOEQJBCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-15(2)11-6-3-5-10(9-11)14(16)12-7-4-8-13(12)14/h3,5-6,9,12-13,16H,4,7-8H2,1-2H3.
What are the key properties of 6-[3-(dimethylamino)phenyl]bicyclo[3.1.0]hexan-6-ol?
6-[3-(dimethylamino)phenyl]bicyclo[3.1.0]hexan-6-ol has a molecular weight of 217.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)phenyl]bicyclo[3.1.0]hexan-6-ol is sourced from PubChem (CID 79331149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).