1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol

C15H21F2NO3 — CID 60900625

IUPAC1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol
SMILESOC(CNc1ccc(OC(F)F)cc1)COC1CCCC1
InChIInChI=1S/C15H21F2NO3/c16-15(17)21-14-7-5-11(6-8-14)18-9-12(19)10-20-13-3-1-2-4-13/h5-8,12-13,15,18-19H,1-4,9-10H2
InChIKeyUULVTRJGGRILBZ-UHFFFAOYSA-N
MW301.33 g/mol
LogP3.02
Rot. Bonds8

About 1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol

1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol (PubChem CID 60900625) has the molecular formula C15H21F2NO3 and a molecular weight of 301.33 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol
PubChem CID60900625
Molecular FormulaC15H21F2NO3
Molecular Weight301.33 g/mol
Exact Mass301.15
IUPAC Name1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol
SMILESOC(CNc1ccc(OC(F)F)cc1)COC1CCCC1
InChIInChI=1S/C15H21F2NO3/c16-15(17)21-14-7-5-11(6-8-14)18-9-12(19)10-20-13-3-1-2-4-13/h5-8,12-13,15,18-19H,1-4,9-10H2
InChIKeyUULVTRJGGRILBZ-UHFFFAOYSA-N
XLogP3.02
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropylmethoxy)-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60899301
2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile
CID 62301181
1-cyclopentyloxy-3-(2,3-dihydro-1H-inden-5-ylamino)propan-2-ol
CID 60898492
1-cyclopentyloxy-3-(3-fluoroanilino)propan-2-ol
CID 60897752
1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 61466824
1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol
CID 60900166
1-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
1-[4-(difluoromethoxy)anilino]-3-(dimethylamino)propan-2-ol
CID 60900056
(2R)-1-[4-(difluoromethoxy)anilino]propan-2-ol
CID 106931834
1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60898837
1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
CID 60899841
3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide
CID 107811167

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol (CID 60900625) is 1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol is OC(CNc1ccc(OC(F)F)cc1)COC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol?
The InChIKey is UULVTRJGGRILBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO3/c16-15(17)21-14-7-5-11(6-8-14)18-9-12(19)10-20-13-3-1-2-4-13/h5-8,12-13,15,18-19H,1-4,9-10H2.
What are the key properties of 1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol?
1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol has a molecular weight of 301.33 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol is sourced from PubChem (CID 60900625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).