3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol

C13H17NO — CID 23332344

IUPAC3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol
SMILESCC1C2CC2(c2cccc(O)c2)CN1C
InChIInChI=1S/C13H17NO/c1-9-12-7-13(12,8-14(9)2)10-4-3-5-11(15)6-10/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyAPMZBKREQLQGGG-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.98
Rot. Bonds1

About 3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol

3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol (PubChem CID 23332344) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol.

Molecular Properties

Compound Name3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol
PubChem CID23332344
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol
SMILESCC1C2CC2(c2cccc(O)c2)CN1C
InChIInChI=1S/C13H17NO/c1-9-12-7-13(12,8-14(9)2)10-4-3-5-11(15)6-10/h3-6,9,12,15H,7-8H2,1-2H3
InChIKeyAPMZBKREQLQGGG-UHFFFAOYSA-N
XLogP1.98
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol?
The IUPAC name of 3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol (CID 23332344) is 3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol.
What is the SMILES notation for 3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol?
The canonical SMILES for 3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol is CC1C2CC2(c2cccc(O)c2)CN1C.
What is the InChIKey of 3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol?
The InChIKey is APMZBKREQLQGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9-12-7-13(12,8-14(9)2)10-4-3-5-11(15)6-10/h3-6,9,12,15H,7-8H2,1-2H3.
What are the key properties of 3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol?
3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol has a molecular weight of 203.29 g/mol, XLogP of 1.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethyl-3-azabicyclo[3.1.0]hexan-1-yl)phenol is sourced from PubChem (CID 23332344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).