1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol

C14H20FNO2 — CID 60897752

IUPAC1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
SMILESOC(CNc1cccc(F)c1)COC1CCCC1
InChIInChI=1S/C14H20FNO2/c15-11-4-3-5-12(8-11)16-9-13(17)10-18-14-6-1-2-7-14/h3-5,8,13-14,16-17H,1-2,6-7,9-10H2
InChIKeyWZOXAIJEULSKTP-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.56
Rot. Bonds6

About 1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol

1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol (PubChem CID 60897752) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
PubChem CID60897752
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
SMILESOC(CNc1cccc(F)c1)COC1CCCC1
InChIInChI=1S/C14H20FNO2/c15-11-4-3-5-12(8-11)16-9-13(17)10-18-14-6-1-2-7-14/h3-5,8,13-14,16-17H,1-2,6-7,9-10H2
InChIKeyWZOXAIJEULSKTP-UHFFFAOYSA-N
XLogP2.56
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
CID 60899841
3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide
CID 107811167
1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 61466824
1-(3-fluoroanilino)-3-methoxypropan-2-ol
CID 63928582
1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol
CID 60900166
1-cyclopentyloxy-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898492
1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60900625
1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60898837
1-cyclopentyloxy-3-(2-methylsulfanylanilino)propan-2-ol
CID 107644598
1-(2-ethoxyethoxy)-3-(3-fluoroanilino)propan-2-ol
CID 60897562
1-(2-chloro-4,6-difluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 83073637

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol (CID 60897752) is 1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol is OC(CNc1cccc(F)c1)COC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol?
The InChIKey is WZOXAIJEULSKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c15-11-4-3-5-12(8-11)16-9-13(17)10-18-14-6-1-2-7-14/h3-5,8,13-14,16-17H,1-2,6-7,9-10H2.
What are the key properties of 1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol?
1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol has a molecular weight of 253.32 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol is sourced from PubChem (CID 60897752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).