3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol

C17H26FNO2 — CID 102871115

IUPAC3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN(CCCO)C1CCC1)C(O)c1ccccc1F
InChIInChI=1S/C17H26FNO2/c1-13(17(21)15-8-2-3-9-16(15)18)12-19(10-5-11-20)14-6-4-7-14/h2-3,8-9,13-14,17,20-21H,4-7,10-12H2,1H3
InChIKeyNBGXWDXWBRYVJB-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.73
Rot. Bonds8

About 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol

3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol (PubChem CID 102871115) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
PubChem CID102871115
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
SMILESCC(CN(CCCO)C1CCC1)C(O)c1ccccc1F
InChIInChI=1S/C17H26FNO2/c1-13(17(21)15-8-2-3-9-16(15)18)12-19(10-5-11-20)14-6-4-7-14/h2-3,8-9,13-14,17,20-21H,4-7,10-12H2,1H3
InChIKeyNBGXWDXWBRYVJB-UHFFFAOYSA-N
XLogP2.73
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl(ethyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679918
3-[cyclohexyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997052
3-[cyclopentyl(2-hydroxyethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62617126
3-[[3-amino-3-(2-fluorophenyl)propyl]-cyclobutylamino]propan-1-ol
CID 102870739
3-[cyclobutylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 112679956
3-[cyclohexylmethyl(methyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997137
3-[bis(2-methylpropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol
CID 115997084
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-propylpropane-1,3-diamine
CID 115996737
3-[cyclobutyl(3-hydroxypropyl)amino]-N'-hydroxy-2-phenylpropanimidamide
CID 102862953
N'-cyclopentyl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996757
3-[cyclohexyl(ethyl)amino]-2-methyl-1-phenylpropan-1-ol
CID 62618121
1-(2-fluorophenyl)-2-methyl-3-[methyl-(2-methyloxolan-3-yl)amino]propan-1-ol
CID 115997198

Frequently Asked Questions

What is the IUPAC name of 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The IUPAC name of 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol (CID 102871115) is 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol.
What is the SMILES notation for 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The canonical SMILES for 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol is CC(CN(CCCO)C1CCC1)C(O)c1ccccc1F.
What is the InChIKey of 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
The InChIKey is NBGXWDXWBRYVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-13(17(21)15-8-2-3-9-16(15)18)12-19(10-5-11-20)14-6-4-7-14/h2-3,8-9,13-14,17,20-21H,4-7,10-12H2,1H3.
What are the key properties of 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol?
3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol has a molecular weight of 295.40 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclobutyl(3-hydroxypropyl)amino]-1-(2-fluorophenyl)-2-methylpropan-1-ol is sourced from PubChem (CID 102871115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).