1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol

C17H25NO4 — CID 18838021

IUPAC1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol
SMILESOC(CNC1CCCC1)COCC1COc2ccccc2O1
InChIInChI=1S/C17H25NO4/c19-14(9-18-13-5-1-2-6-13)10-20-11-15-12-21-16-7-3-4-8-17(16)22-15/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2
InChIKeyYRLOJEREFYIJSA-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.74
Rot. Bonds7

About 1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol

1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol (PubChem CID 18838021) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol
PubChem CID18838021
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Name1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol
SMILESOC(CNC1CCCC1)COCC1COc2ccccc2O1
InChIInChI=1S/C17H25NO4/c19-14(9-18-13-5-1-2-6-13)10-20-11-15-12-21-16-7-3-4-8-17(16)22-15/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2
InChIKeyYRLOJEREFYIJSA-UHFFFAOYSA-N
XLogP1.74
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

cyclohexyl-[(2R)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-2-hydroxypropyl]-methylazanium
CID 6945168
(2R)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-3-piperidin-1-ium-1-ylpropan-2-ol
CID 6948271
(2R)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-3-piperidin-1-ium-1-ylpropan-2-ol
CID 7024470
(2R)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-3-[(3S)-3-methylpiperidin-1-yl]propan-2-ol
CID 1365791
cyclohexyl-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)phenyl]methanol
CID 10760615
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-morpholin-4-ium-4-ylpropan-2-ol
CID 4745271
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 2867651
(2S)-1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 1365785
(2S)-1-(4-benzylpiperazin-1-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]propan-2-ol
CID 1039922
1-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)-3-(2,6-dimethylmorpholin-4-yl)propan-2-ol;hydrochloride
CID 18774538
1-(cycloheptylamino)-3-(oxolan-2-ylmethoxy)propan-2-ol
CID 60634305
(2R)-1-(4-benzylmorpholin-4-ium-4-yl)-3-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methoxy]propan-2-ol
CID 2137617

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol?
The IUPAC name of 1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol (CID 18838021) is 1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol is OC(CNC1CCCC1)COCC1COc2ccccc2O1.
What is the InChIKey of 1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol?
The InChIKey is YRLOJEREFYIJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO4/c19-14(9-18-13-5-1-2-6-13)10-20-11-15-12-21-16-7-3-4-8-17(16)22-15/h3-4,7-8,13-15,18-19H,1-2,5-6,9-12H2.
What are the key properties of 1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol?
1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol has a molecular weight of 307.39 g/mol, XLogP of 1.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentylamino)-3-(2,3-dihydro-1,4-benzodioxin-3-ylmethoxy)propan-2-ol is sourced from PubChem (CID 18838021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).