1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol

C13H19NO3 — CID 82476704

IUPAC1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
SMILESCNCC(C)(O)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C13H19NO3/c1-9-6-11-12(17-5-4-16-11)7-10(9)13(2,15)8-14-3/h6-7,14-15H,4-5,8H2,1-3H3
InChIKeyDCYKAUOFWLIYIK-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.19
Rot. Bonds3

About 1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol

1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol (PubChem CID 82476704) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol.

Molecular Properties

Compound Name1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
PubChem CID82476704
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
SMILESCNCC(C)(O)c1cc2c(cc1C)OCCO2
InChIInChI=1S/C13H19NO3/c1-9-6-11-12(17-5-4-16-11)7-10(9)13(2,15)8-14-3/h6-7,14-15H,4-5,8H2,1-3H3
InChIKeyDCYKAUOFWLIYIK-UHFFFAOYSA-N
XLogP1.19
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]propan-2-ol
CID 115136774
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 116855601
2-methyl-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propanehydrazide
CID 116844032
4-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diol
CID 116861636
3-amino-3-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid
CID 82481168
2-N,2-dimethyl-1-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,2-diamine
CID 115222020
methyl 2,2-difluoro-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)acetate
CID 105426459
2-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol
CID 84687648
2-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)propan-2-ol
CID 84678952
2-methyl-1-[(6-methyl-1,3-benzodioxol-5-yl)amino]propan-2-ol
CID 115136804
2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]ethanol
CID 82492557
N-(bromomethyl)-2-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-amine
CID 115262635

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol?
The IUPAC name of 1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol (CID 82476704) is 1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol.
What is the SMILES notation for 1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol?
The canonical SMILES for 1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol is CNCC(C)(O)c1cc2c(cc1C)OCCO2.
What is the InChIKey of 1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol?
The InChIKey is DCYKAUOFWLIYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-6-11-12(17-5-4-16-11)7-10(9)13(2,15)8-14-3/h6-7,14-15H,4-5,8H2,1-3H3.
What are the key properties of 1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol?
1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol has a molecular weight of 237.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propan-2-ol is sourced from PubChem (CID 82476704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).