1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol

C17H26FNO2 — CID 60633099

IUPAC1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCC(OCC(O)CNCc2ccccc2F)C1
InChIInChI=1S/C17H26FNO2/c1-13-5-4-7-16(9-13)21-12-15(20)11-19-10-14-6-2-3-8-17(14)18/h2-3,6,8,13,15-16,19-20H,4-5,7,9-12H2,1H3
InChIKeyIQUBSWMVGMLIBB-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.87
Rot. Bonds7

About 1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol

1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol (PubChem CID 60633099) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol
PubChem CID60633099
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCC(OCC(O)CNCc2ccccc2F)C1
InChIInChI=1S/C17H26FNO2/c1-13-5-4-7-16(9-13)21-12-15(20)11-19-10-14-6-2-3-8-17(14)18/h2-3,6,8,13,15-16,19-20H,4-5,7,9-12H2,1H3
InChIKeyIQUBSWMVGMLIBB-UHFFFAOYSA-N
XLogP2.87
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxypropylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60634608
1-(ethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 43166266
2-[[(3-cyclohexyloxy-2-hydroxypropyl)amino]methyl]phenol
CID 114331934
1-[(2,5-dimethylpyrrol-1-yl)amino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 79099917
N-[(2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine
CID 43178807
1-[(4-bromothiophen-2-yl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60970678
1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one
CID 43800867
1-(2-cyclopentyloxyethylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 63828739
1-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-2-methylpropan-2-ol
CID 65106025
1-(3-methylcyclohexyl)oxy-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760159
1-(3-methylbut-2-enylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 106188526
1-[(2-fluorophenyl)methylamino]-4-methylpentan-2-ol
CID 103631775

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol (CID 60633099) is 1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol is CC1CCCC(OCC(O)CNCc2ccccc2F)C1.
What is the InChIKey of 1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is IQUBSWMVGMLIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-13-5-4-7-16(9-13)21-12-15(20)11-19-10-14-6-2-3-8-17(14)18/h2-3,6,8,13,15-16,19-20H,4-5,7,9-12H2,1H3.
What are the key properties of 1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol?
1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 295.40 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methylamino]-3-(3-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 60633099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).