3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol

C17H23NO — CID 3045872

IUPAC3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol
SMILESOc1cccc(C23CCCC(C2)N(CC2CC2)C3)c1
InChIInChI=1S/C17H23NO/c19-16-5-1-3-14(9-16)17-8-2-4-15(10-17)18(12-17)11-13-6-7-13/h1,3,5,9,13,15,19H,2,4,6-8,10-12H2
InChIKeyXAINZDIHBKJXIK-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.30
Rot. Bonds3

About 3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol

3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol (PubChem CID 3045872) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol.

Molecular Properties

Compound Name3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol
PubChem CID3045872
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol
SMILESOc1cccc(C23CCCC(C2)N(CC2CC2)C3)c1
InChIInChI=1S/C17H23NO/c19-16-5-1-3-14(9-16)17-8-2-4-15(10-17)18(12-17)11-13-6-7-13/h1,3,5,9,13,15,19H,2,4,6-8,10-12H2
InChIKeyXAINZDIHBKJXIK-UHFFFAOYSA-N
XLogP3.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1S,5R)-2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
CID 46877850
ethene;3-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
CID 170752331
3-(2-prop-2-enyl-2-azabicyclo[4.2.1]nonan-6-yl)phenol
CID 12827431
but-1-ene;3-[2-(2-phenylethyl)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
CID 170752361
1-phenyl-6-prop-2-enyl-6-azabicyclo[3.2.1]octane
CID 3045746
3-[2-(2-phenylethyl)-2-azabicyclo[3.2.1]octan-5-yl]phenol;hydrobromide
CID 71396949
3-(1-bicyclo[1.1.1]pentanyl)phenol
CID 122235352
3-[(1S,5R)-2-azabicyclo[3.3.1]nonan-5-yl]phenol
CID 129386349
3-[2-(cyclopropylmethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-yl]phenol
CID 3966372
3-[3-(cyclopropylmethyl)-2,4,5,6,7,8,9,9a-octahydro-1H-benzo[d]azepin-5a-yl]phenol;hydrobromide
CID 173446342
3-[2-(cyclobutylmethyl)-1,3,4,5,6,7,8,8a-octahydrocyclopenta[c]azepin-5a-yl]phenol;phosphoric acid
CID 21330537
(4aR,8aR)-2-(cyclobutylmethyl)-4a-(3-hydroxyphenyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-6-ol
CID 22818575

Frequently Asked Questions

What is the IUPAC name of 3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol?
The IUPAC name of 3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol (CID 3045872) is 3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol.
What is the SMILES notation for 3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol?
The canonical SMILES for 3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol is Oc1cccc(C23CCCC(C2)N(CC2CC2)C3)c1.
What is the InChIKey of 3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol?
The InChIKey is XAINZDIHBKJXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c19-16-5-1-3-14(9-16)17-8-2-4-15(10-17)18(12-17)11-13-6-7-13/h1,3,5,9,13,15,19H,2,4,6-8,10-12H2.
What are the key properties of 3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol?
3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol has a molecular weight of 257.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(cyclopropylmethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol is sourced from PubChem (CID 3045872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).