3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol

C18H26FNO — CID 115997199

IUPAC3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN1CCC2CCCCC21)C(O)c1ccccc1F
InChIInChI=1S/C18H26FNO/c1-13(18(21)15-7-3-4-8-16(15)19)12-20-11-10-14-6-2-5-9-17(14)20/h3-4,7-8,13-14,17-18,21H,2,5-6,9-12H2,1H3
InChIKeyBMJZZVTWFCOHHR-UHFFFAOYSA-N
MW291.41 g/mol
LogP3.76
Rot. Bonds4

About 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol

3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 115997199) has the molecular formula C18H26FNO and a molecular weight of 291.41 g/mol. Its IUPAC name is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
PubChem CID115997199
Molecular FormulaC18H26FNO
Molecular Weight291.41 g/mol
Exact Mass291.20
IUPAC Name3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN1CCC2CCCCC21)C(O)c1ccccc1F
InChIInChI=1S/C18H26FNO/c1-13(18(21)15-7-3-4-8-16(15)19)12-20-11-10-14-6-2-5-9-17(14)20/h3-4,7-8,13-14,17-18,21H,2,5-6,9-12H2,1H3
InChIKeyBMJZZVTWFCOHHR-UHFFFAOYSA-N
XLogP3.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol with MolForge

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Related Compounds

3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997143
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine
CID 115996978
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997146
3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997172
1-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)propan-2-ol
CID 82749699
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997156
1-(2-fluorophenyl)-2-methyl-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-ol
CID 114596873
3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997052
3-(2-cyclopentylpyrrolidin-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 62617910
1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 115997045
1-[(3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-3-fluoropropan-2-ol
CID 131059675
1-(2-fluorophenyl)-3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methylpropan-1-ol
CID 115997195

Frequently Asked Questions

What is the IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol (CID 115997199) is 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol is CC(CN1CCC2CCCCC21)C(O)c1ccccc1F.
What is the InChIKey of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is BMJZZVTWFCOHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO/c1-13(18(21)15-7-3-4-8-16(15)19)12-20-11-10-14-6-2-5-9-17(14)20/h3-4,7-8,13-14,17-18,21H,2,5-6,9-12H2,1H3.
What are the key properties of 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol?
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 291.41 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 115997199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).