1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol

C17H26ClNO2 — CID 60896997

IUPAC1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
SMILESCCC1CCCCC1OCC(O)CNc1cccc(Cl)c1
InChIInChI=1S/C17H26ClNO2/c1-2-13-6-3-4-9-17(13)21-12-16(20)11-19-15-8-5-7-14(18)10-15/h5,7-8,10,13,16-17,19-20H,2-4,6,9,11-12H2,1H3
InChIKeyPPOSKXPUYWELQJ-UHFFFAOYSA-N
MW311.85 g/mol
LogP4.10
Rot. Bonds7

About 1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol

1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol (PubChem CID 60896997) has the molecular formula C17H26ClNO2 and a molecular weight of 311.85 g/mol. Its IUPAC name is 1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol.

Molecular Properties

Compound Name1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
PubChem CID60896997
Molecular FormulaC17H26ClNO2
Molecular Weight311.85 g/mol
Exact Mass311.17
IUPAC Name1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
SMILESCCC1CCCCC1OCC(O)CNc1cccc(Cl)c1
InChIInChI=1S/C17H26ClNO2/c1-2-13-6-3-4-9-17(13)21-12-16(20)11-19-15-8-5-7-14(18)10-15/h5,7-8,10,13,16-17,19-20H,2-4,6,9,11-12H2,1H3
InChIKeyPPOSKXPUYWELQJ-UHFFFAOYSA-N
XLogP4.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.85
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloroanilino)-3-ethoxypropan-2-ol
CID 63932337
1-(4-chloroanilino)-3-(2-methylcyclohexyl)oxypropan-2-ol
CID 60898510
1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
1-(2-ethylcyclohexyl)oxy-3-(methoxyamino)propan-2-ol
CID 60702585
1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
CID 60897752
1-(cyclohexylmethylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 60633455
3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide
CID 107811167
1-(3-chloroanilino)-3-(1-phenylethoxy)propan-2-ol
CID 60896251
1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
CID 60899841
1-(2,2-dimethylbutylamino)-3-(2-ethylcyclohexyl)oxypropan-2-ol
CID 103461387
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
1-(2-ethylcyclohexyl)oxy-3-[(2-methoxy-2-methylpropyl)amino]propan-2-ol
CID 104760627

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
The IUPAC name of 1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol (CID 60896997) is 1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol.
What is the SMILES notation for 1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
The canonical SMILES for 1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol is CCC1CCCCC1OCC(O)CNc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
The InChIKey is PPOSKXPUYWELQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO2/c1-2-13-6-3-4-9-17(13)21-12-16(20)11-19-15-8-5-7-14(18)10-15/h5,7-8,10,13,16-17,19-20H,2-4,6,9,11-12H2,1H3.
What are the key properties of 1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol?
1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol has a molecular weight of 311.85 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloroanilino)-3-(2-ethylcyclohexyl)oxypropan-2-ol is sourced from PubChem (CID 60896997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).