3-(2-cyclohexyloxyanilino)propane-1,2-diol

C15H23NO3 — CID 168596583

IUPAC3-(2-cyclohexyloxyanilino)propane-1,2-diol
SMILESOCC(O)CNc1ccccc1OC1CCCCC1
InChIInChI=1S/C15H23NO3/c17-11-12(18)10-16-14-8-4-5-9-15(14)19-13-6-2-1-3-7-13/h4-5,8-9,12-13,16-18H,1-3,6-7,10-11H2
InChIKeyOILQVRVQAKBSNR-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.16
Rot. Bonds6

About 3-(2-cyclohexyloxyanilino)propane-1,2-diol

3-(2-cyclohexyloxyanilino)propane-1,2-diol (PubChem CID 168596583) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-(2-cyclohexyloxyanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-cyclohexyloxyanilino)propane-1,2-diol
PubChem CID168596583
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-(2-cyclohexyloxyanilino)propane-1,2-diol
SMILESOCC(O)CNc1ccccc1OC1CCCCC1
InChIInChI=1S/C15H23NO3/c17-11-12(18)10-16-14-8-4-5-9-15(14)19-13-6-2-1-3-7-13/h4-5,8-9,12-13,16-18H,1-3,6-7,10-11H2
InChIKeyOILQVRVQAKBSNR-UHFFFAOYSA-N
XLogP2.16
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol
CID 168595650
3-(3-cyclopentyloxyanilino)propane-1,2-diol
CID 168595070
1,2-dicyclohexyloxybenzene
CID 67331328
3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol
CID 168596052
N-(2-cyclopentyloxyphenyl)-2-methyl-3-(methylamino)propanamide
CID 119737329
2-cyclopentyloxy-N-methylaniline
CID 130903637
3-(2-butoxyanilino)propane-1,2-diol
CID 168594733
methyl 4-[[2-(2-cyclopentyloxyanilino)acetyl]amino]benzoate
CID 60536886
2-cyclohexyloxy-N-(2-hydroxypropyl)benzamide
CID 110466231
1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol
CID 168639707
cyclobutyl N-(2,3-dihydroxypropyl)carbamate
CID 156816353
N-(1-cyanocyclopentyl)-2-(2-cyclopentyloxyanilino)acetamide
CID 47064203

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexyloxyanilino)propane-1,2-diol?
The IUPAC name of 3-(2-cyclohexyloxyanilino)propane-1,2-diol (CID 168596583) is 3-(2-cyclohexyloxyanilino)propane-1,2-diol.
What is the SMILES notation for 3-(2-cyclohexyloxyanilino)propane-1,2-diol?
The canonical SMILES for 3-(2-cyclohexyloxyanilino)propane-1,2-diol is OCC(O)CNc1ccccc1OC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexyloxyanilino)propane-1,2-diol?
The InChIKey is OILQVRVQAKBSNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c17-11-12(18)10-16-14-8-4-5-9-15(14)19-13-6-2-1-3-7-13/h4-5,8-9,12-13,16-18H,1-3,6-7,10-11H2.
What are the key properties of 3-(2-cyclohexyloxyanilino)propane-1,2-diol?
3-(2-cyclohexyloxyanilino)propane-1,2-diol has a molecular weight of 265.35 g/mol, XLogP of 2.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexyloxyanilino)propane-1,2-diol is sourced from PubChem (CID 168596583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).