2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol

C15H21NO3 — CID 82313590

IUPAC2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
SMILESCCC(NC1CC1)C(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO3/c1-2-12(16-11-4-5-11)15(17)10-3-6-13-14(9-10)19-8-7-18-13/h3,6,9,11-12,15-17H,2,4-5,7-8H2,1H3
InChIKeySPOFREFQJPYWJY-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.02
Rot. Bonds5

About 2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol

2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol (PubChem CID 82313590) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
PubChem CID82313590
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol
SMILESCCC(NC1CC1)C(O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C15H21NO3/c1-2-12(16-11-4-5-11)15(17)10-3-6-13-14(9-10)19-8-7-18-13/h3,6,9,11-12,15-17H,2,4-5,7-8H2,1H3
InChIKeySPOFREFQJPYWJY-UHFFFAOYSA-N
XLogP2.02
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-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

(1S,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropane-1,3-diol
CID 122470622
6-[(2S)-butan-2-yl]-2,3-dihydro-1,4-benzodioxine
CID 89291173
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(2-hydroxypropylamino)propan-1-ol
CID 82313565
cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086943
(1R,2R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3-heptyloxiran-2-yl)amino]-3-pyrrolidin-1-ylpropan-1-ol
CID 126605202
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methylpentan-3-ylamino)ethanol
CID 103746683
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086940
6-(1-chloropropyl)-2,3-dihydro-1,4-benzodioxine
CID 61083741
6-(1-bromopropyl)-2,3-dihydro-1,4-benzodioxine
CID 61098299
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454
(1S,2R)-1-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpentan-2-ol;hydrochloride
CID 171268724

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol (CID 82313590) is 2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol is CCC(NC1CC1)C(O)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol?
The InChIKey is SPOFREFQJPYWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-12(16-11-4-5-11)15(17)10-3-6-13-14(9-10)19-8-7-18-13/h3,6,9,11-12,15-17H,2,4-5,7-8H2,1H3.
What are the key properties of 2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol?
2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol has a molecular weight of 263.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)butan-1-ol is sourced from PubChem (CID 82313590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).