1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol

C15H21NO4 — CID 60900166

IUPAC1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol
SMILESOC(CNc1ccc2c(c1)OCO2)COC1CCCC1
InChIInChI=1S/C15H21NO4/c17-12(9-18-13-3-1-2-4-13)8-16-11-5-6-14-15(7-11)20-10-19-14/h5-7,12-13,16-17H,1-4,8-10H2
InChIKeyVTFIJBBINVAUDZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.15
Rot. Bonds6

About 1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol

1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol (PubChem CID 60900166) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol
PubChem CID60900166
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol
SMILESOC(CNc1ccc2c(c1)OCO2)COC1CCCC1
InChIInChI=1S/C15H21NO4/c17-12(9-18-13-3-1-2-4-13)8-16-11-5-6-14-15(7-11)20-10-19-14/h5-7,12-13,16-17H,1-4,8-10H2
InChIKeyVTFIJBBINVAUDZ-UHFFFAOYSA-N
XLogP2.15
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-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-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-cyclopentyloxy-3-(3-methylanilino)propan-2-ol
CID 60902650
1-(4-chloro-3-fluoroanilino)-3-cyclohexyloxypropan-2-ol
CID 61466824
1-cyclohexyloxy-3-(3-iodoanilino)propan-2-ol
CID 60899841
1-cyclopentyloxy-3-[4-(difluoromethoxy)anilino]propan-2-ol
CID 60900625
3-[(3-cyclopentyloxy-2-hydroxypropyl)amino]benzamide
CID 107811167
2-[4-[(3-cyclohexyloxy-2-hydroxypropyl)amino]phenyl]acetonitrile
CID 62301181
1-(1,3-benzodioxol-5-yl)-2-cyclopentyloxyethanamine
CID 16796104
1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989154
1-cyclopentyloxy-3-(2,4,6-tribromoanilino)propan-2-ol
CID 63488175
1-(1,3-benzodioxol-5-yl)-2-(cyclooctylamino)ethanol
CID 60896946

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol?
The IUPAC name of 1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol (CID 60900166) is 1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol is OC(CNc1ccc2c(c1)OCO2)COC1CCCC1.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol?
The InChIKey is VTFIJBBINVAUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c17-12(9-18-13-3-1-2-4-13)8-16-11-5-6-14-15(7-11)20-10-19-14/h5-7,12-13,16-17H,1-4,8-10H2.
What are the key properties of 1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol?
1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol has a molecular weight of 279.34 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylamino)-3-cyclopentyloxypropan-2-ol is sourced from PubChem (CID 60900166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).