3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol

C16H23NO — CID 3045738

IUPAC3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
SMILESCC1C2CCCC1(c1cccc(O)c1)C(C)N2C
InChIInChI=1S/C16H23NO/c1-11-15-8-5-9-16(11,12(2)17(15)3)13-6-4-7-14(18)10-13/h4,6-7,10-12,15,18H,5,8-9H2,1-3H3
InChIKeyCFFHIFVCBLNHRE-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.15
Rot. Bonds1

About 3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol

3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol (PubChem CID 3045738) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol.

Molecular Properties

Compound Name3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
PubChem CID3045738
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol
SMILESCC1C2CCCC1(c1cccc(O)c1)C(C)N2C
InChIInChI=1S/C16H23NO/c1-11-15-8-5-9-16(11,12(2)17(15)3)13-6-4-7-14(18)10-13/h4,6-7,10-12,15,18H,5,8-9H2,1-3H3
InChIKeyCFFHIFVCBLNHRE-UHFFFAOYSA-N
XLogP3.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol?
The IUPAC name of 3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol (CID 3045738) is 3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol.
What is the SMILES notation for 3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol?
The canonical SMILES for 3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol is CC1C2CCCC1(c1cccc(O)c1)C(C)N2C.
What is the InChIKey of 3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol?
The InChIKey is CFFHIFVCBLNHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-15-8-5-9-16(11,12(2)17(15)3)13-6-4-7-14(18)10-13/h4,6-7,10-12,15,18H,5,8-9H2,1-3H3.
What are the key properties of 3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol?
3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol has a molecular weight of 245.37 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7,8-trimethyl-6-azabicyclo[3.2.1]octan-1-yl)phenol is sourced from PubChem (CID 3045738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).