1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol

C17H26FNO2 — CID 60632525

IUPAC1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCCC1OCC(O)CNCc1ccc(F)cc1
InChIInChI=1S/C17H26FNO2/c1-13-4-2-3-5-17(13)21-12-16(20)11-19-10-14-6-8-15(18)9-7-14/h6-9,13,16-17,19-20H,2-5,10-12H2,1H3
InChIKeyBIAXJGSCHRRYKV-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.87
Rot. Bonds7

About 1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol

1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol (PubChem CID 60632525) has the molecular formula C17H26FNO2 and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
PubChem CID60632525
Molecular FormulaC17H26FNO2
Molecular Weight295.40 g/mol
Exact Mass295.19
IUPAC Name1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCCC1OCC(O)CNCc1ccc(F)cc1
InChIInChI=1S/C17H26FNO2/c1-13-4-2-3-5-17(13)21-12-16(20)11-19-10-14-6-8-15(18)9-7-14/h6-9,13,16-17,19-20H,2-5,10-12H2,1H3
InChIKeyBIAXJGSCHRRYKV-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-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60901056
1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633182
1-(2-methylcyclohexyl)oxy-3-(2-methylpropylamino)propan-2-ol
CID 60635615
1-(2-hydroxypropylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60634518
1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 82882583
4-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]butan-2-ol
CID 64910999
1-cyclopentyl-2-[(4-fluorophenyl)methylamino]ethanol
CID 111425447
1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60898510
1-(2,6-dimethylanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62332087
1-[(4-fluorophenyl)methylamino]-3-(2-methylphenoxy)propan-2-ol
CID 60632137
3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359847
1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 63867829

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol (CID 60632525) is 1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol is CC1CCCCC1OCC(O)CNCc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is BIAXJGSCHRRYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO2/c1-13-4-2-3-5-17(13)21-12-16(20)11-19-10-14-6-8-15(18)9-7-14/h6-9,13,16-17,19-20H,2-5,10-12H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol?
1-[(4-fluorophenyl)methylamino]-3-(2-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-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 60632525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).