3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol

C18H28FNO — CID 115997172

IUPAC3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCCC1CCCN(CC(C)C(O)c2ccccc2F)CC1
InChIInChI=1S/C18H28FNO/c1-3-15-7-6-11-20(12-10-15)13-14(2)18(21)16-8-4-5-9-17(16)19/h4-5,8-9,14-15,18,21H,3,6-7,10-13H2,1-2H3
InChIKeyILKUDBNZEJHGAA-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.01
Rot. Bonds5

About 3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol

3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 115997172) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
PubChem CID115997172
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCCC1CCCN(CC(C)C(O)c2ccccc2F)CC1
InChIInChI=1S/C18H28FNO/c1-3-15-7-6-11-20(12-10-15)13-14(2)18(21)16-8-4-5-9-17(16)19/h4-5,8-9,14-15,18,21H,3,6-7,10-13H2,1-2H3
InChIKeyILKUDBNZEJHGAA-UHFFFAOYSA-N
XLogP4.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-2-methyl-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 115997045
3-(4-ethyl-3-methylpiperazin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997156
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997146
3-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997199
3-(2,4-dimethylpiperidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997143
3-[cyclobutylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679956
3-[cyclopropyl(ethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679918
3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997137
(2R)-1-[4-[[[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]piperidin-1-yl]propan-2-ol
CID 95293335
1-(3-ethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-2-amine
CID 55018925
(4-ethylcyclohexyl)-(2-fluorophenyl)methanol
CID 64749746
2-(4-ethyl-1,4-diazepan-1-yl)-1-(2-fluorophenyl)ethanol
CID 111102980

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol (CID 115997172) is 3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol is CCC1CCCN(CC(C)C(O)c2ccccc2F)CC1.
What is the InChIKey of 3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is ILKUDBNZEJHGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-3-15-7-6-11-20(12-10-15)13-14(2)18(21)16-8-4-5-9-17(16)19/h4-5,8-9,14-15,18,21H,3,6-7,10-13H2,1-2H3.
What are the key properties of 3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol?
3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 293.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylazepan-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 115997172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).