1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol

C16H23F2NO2 — CID 60901056

IUPAC1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCCC1OCC(O)CNc1ccc(F)cc1F
InChIInChI=1S/C16H23F2NO2/c1-11-4-2-3-5-16(11)21-10-13(20)9-19-15-7-6-12(17)8-14(15)18/h6-8,11,13,16,19-20H,2-5,9-10H2,1H3
InChIKeyAXTRUMJBZPACSK-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.33
Rot. Bonds6

About 1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol

1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol (PubChem CID 60901056) has the molecular formula C16H23F2NO2 and a molecular weight of 299.36 g/mol. Its IUPAC name is 1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
PubChem CID60901056
Molecular FormulaC16H23F2NO2
Molecular Weight299.36 g/mol
Exact Mass299.17
IUPAC Name1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCCC1OCC(O)CNc1ccc(F)cc1F
InChIInChI=1S/C16H23F2NO2/c1-11-4-2-3-5-16(11)21-10-13(20)9-19-15-7-6-12(17)8-14(15)18/h6-8,11,13,16,19-20H,2-5,9-10H2,1H3
InChIKeyAXTRUMJBZPACSK-UHFFFAOYSA-N
XLogP3.33
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60632525
1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60898510
1-(2,6-dimethylanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62332087
1-(2,4-difluoroanilino)-3-hexoxypropan-2-ol
CID 60901251
1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60898837
1-(2-methylcyclohexyl)oxy-3-(2-methylpropylamino)propan-2-ol
CID 60635615
1-(2-methylcyclohexyl)oxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 63867829
1-(2,2-dimethylhydrazinyl)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 83013847
1-(2-hydroxypropylamino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60634518
1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633182
1-(2-methylcyclohexyl)oxy-3-[(1-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 82882583
1-(4-fluoro-2-methoxyanilino)-3-methoxypropan-2-ol
CID 63929657

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol (CID 60901056) is 1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol is CC1CCCCC1OCC(O)CNc1ccc(F)cc1F.
What is the InChIKey of 1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is AXTRUMJBZPACSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO2/c1-11-4-2-3-5-16(11)21-10-13(20)9-19-15-7-6-12(17)8-14(15)18/h6-8,11,13,16,19-20H,2-5,9-10H2,1H3.
What are the key properties of 1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol?
1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 299.36 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 60901056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).