1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol

C15H21ClFNO2 — CID 61466824

IUPAC1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
SMILESOC(CNc1ccc(Cl)c(F)c1)COC1CCCCC1
InChIInChI=1S/C15H21ClFNO2/c16-14-7-6-11(8-15(14)17)18-9-12(19)10-20-13-4-2-1-3-5-13/h6-8,12-13,18-19H,1-5,9-10H2
InChIKeyCOMPDFRAZQRPND-UHFFFAOYSA-N
MW301.79 g/mol
LogP3.60
Rot. Bonds6

About 1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol

1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol (PubChem CID 61466824) has the molecular formula C15H21ClFNO2 and a molecular weight of 301.79 g/mol. Its IUPAC name is 1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol.

Molecular Properties

Compound Name1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
PubChem CID61466824
Molecular FormulaC15H21ClFNO2
Molecular Weight301.79 g/mol
Exact Mass301.12
IUPAC Name1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
SMILESOC(CNc1ccc(Cl)c(F)c1)COC1CCCCC1
InChIInChI=1S/C15H21ClFNO2/c16-14-7-6-11(8-15(14)17)18-9-12(19)10-20-13-4-2-1-3-5-13/h6-8,12-13,18-19H,1-5,9-10H2
InChIKeyCOMPDFRAZQRPND-UHFFFAOYSA-N
XLogP3.60
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.79
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-fluoroanilino)-3-(4-methylcyclohexyl)oxypropan-2-ol
CID 83095950
1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
CID 60897752
1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 83073637
1-cyclopentyloxy-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898492
1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
CID 60899841
1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol
CID 60900166
1-(2-chloro-5-methylanilino)-3-cyclopentyloxypropan-2-ol
CID 107634536
1-(5-bromo-2-chloroanilino)-3-cyclopentyloxypropan-2-ol
CID 62913594
1-[(3-chloro-4-fluorophenyl)methylamino]-3-cyclohexyloxypropan-2-ol
CID 62538630
1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60900625
1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60898837

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol?
The IUPAC name of 1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol (CID 61466824) is 1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol.
What is the SMILES notation for 1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol?
The canonical SMILES for 1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol is OC(CNc1ccc(Cl)c(F)c1)COC1CCCCC1.
What is the InChIKey of 1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol?
The InChIKey is COMPDFRAZQRPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO2/c16-14-7-6-11(8-15(14)17)18-9-12(19)10-20-13-4-2-1-3-5-13/h6-8,12-13,18-19H,1-5,9-10H2.
What are the key properties of 1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol?
1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol has a molecular weight of 301.79 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol is sourced from PubChem (CID 61466824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).