1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol

C16H24ClNO2 — CID 60898510

IUPAC1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCCC1OCC(O)CNc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c1-12-4-2-3-5-16(12)20-11-15(19)10-18-14-8-6-13(17)7-9-14/h6-9,12,15-16,18-19H,2-5,10-11H2,1H3
InChIKeyHDZNQNZHFPZNOV-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.71
Rot. Bonds6

About 1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol

1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol (PubChem CID 60898510) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is 1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
PubChem CID60898510
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Name1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
SMILESCC1CCCCC1OCC(O)CNc1ccc(Cl)cc1
InChIInChI=1S/C16H24ClNO2/c1-12-4-2-3-5-16(12)20-11-15(19)10-18-14-8-6-13(17)7-9-14/h6-9,12,15-16,18-19H,2-5,10-11H2,1H3
InChIKeyHDZNQNZHFPZNOV-UHFFFAOYSA-N
XLogP3.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 62332087
1-(2,4-difluoroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60901056
1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 60896997
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-[(4-fluorophenyl)methylamino]-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60632525
1-(4-chlorophenoxy)-3-(4-methoxyanilino)propan-2-ol
CID 23856239
3-[[2-hydroxy-3-(2-methylcyclohexyl)oxypropyl]amino]-2,2-dimethylpropan-1-ol
CID 115359847
1-(3-chloro-4-fluoroanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 83095950
1-(2-methylcyclohexyl)oxy-3-(thiophen-2-ylmethylamino)propan-2-ol
CID 60633182

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol (CID 60898510) is 1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol is CC1CCCCC1OCC(O)CNc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol?
The InChIKey is HDZNQNZHFPZNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-12-4-2-3-5-16(12)20-11-15(19)10-18-14-8-6-13(17)7-9-14/h6-9,12,15-16,18-19H,2-5,10-11H2,1H3.
What are the key properties of 1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol?
1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol has a molecular weight of 297.83 g/mol, XLogP of 3.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 60898510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).