[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol

C17H26N2O — CID 164779205

IUPAC[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol
SMILESCC(C)c1ccc(N2CC3CCC(C2)N3C)c(CO)c1
InChIInChI=1S/C17H26N2O/c1-12(2)13-4-7-17(14(8-13)11-20)19-9-15-5-6-16(10-19)18(15)3/h4,7-8,12,15-16,20H,5-6,9-11H2,1-3H3
InChIKeyGHJMXPRRXPXKGS-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.59
Rot. Bonds3

About [2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol

[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol (PubChem CID 164779205) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is [2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol.

Molecular Properties

Compound Name[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol
PubChem CID164779205
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol
SMILESCC(C)c1ccc(N2CC3CCC(C2)N3C)c(CO)c1
InChIInChI=1S/C17H26N2O/c1-12(2)13-4-7-17(14(8-13)11-20)19-9-15-5-6-16(10-19)18(15)3/h4,7-8,12,15-16,20H,5-6,9-11H2,1-3H3
InChIKeyGHJMXPRRXPXKGS-UHFFFAOYSA-N
XLogP2.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol with MolForge

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Related Compounds

[5-chloro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 114845724
(2-piperazin-1-yl-5-propan-2-ylphenyl)methanol
CID 138530373
[2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 79175516
8-methyl-3-(3-propan-2-ylphenyl)-3,8-diazabicyclo[3.2.1]octane
CID 169288841
[3-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]methanol
CID 79174316
[2-(4-methylpiperazin-1-yl)-5-propan-2-ylphenyl]methanamine
CID 177267332
[2-(3,4-dimethylpyrrolidin-1-yl)-5-nitrophenyl]methanol
CID 79189014
N-[(2-piperidin-1-yl-5-propan-2-ylphenyl)methyl]propan-2-amine
CID 123727304
[5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methanol
CID 66393104
2-[5-fluoro-2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phenyl]ethanamine
CID 79171052
1-methyl-6-propan-2-yl-3,4-dihydro-2H-quinolin-2-ol
CID 90974062
4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)aniline
CID 155146967

Frequently Asked Questions

What is the IUPAC name of [2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol?
The IUPAC name of [2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol (CID 164779205) is [2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol.
What is the SMILES notation for [2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol?
The canonical SMILES for [2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol is CC(C)c1ccc(N2CC3CCC(C2)N3C)c(CO)c1.
What is the InChIKey of [2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol?
The InChIKey is GHJMXPRRXPXKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-12(2)13-4-7-17(14(8-13)11-20)19-9-15-5-6-16(10-19)18(15)3/h4,7-8,12,15-16,20H,5-6,9-11H2,1-3H3.
What are the key properties of [2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol?
[2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol has a molecular weight of 274.41 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-5-propan-2-ylphenyl]methanol is sourced from PubChem (CID 164779205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).