4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol

C13H19NO3 — CID 116953026

IUPAC4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol
SMILESCNC(CCCO)c1cc2c(cc1C)OCO2
InChIInChI=1S/C13H19NO3/c1-9-6-12-13(17-8-16-12)7-10(9)11(14-2)4-3-5-15/h6-7,11,14-15H,3-5,8H2,1-2H3
InChIKeyFSEDVVGRONPIKO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.76
Rot. Bonds5

About 4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol

4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol (PubChem CID 116953026) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol.

Molecular Properties

Compound Name4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol
PubChem CID116953026
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol
SMILESCNC(CCCO)c1cc2c(cc1C)OCO2
InChIInChI=1S/C13H19NO3/c1-9-6-12-13(17-8-16-12)7-10(9)11(14-2)4-3-5-15/h6-7,11,14-15H,3-5,8H2,1-2H3
InChIKeyFSEDVVGRONPIKO-UHFFFAOYSA-N
XLogP1.76
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine
CID 116950251
3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol
CID 116960192
2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 105424279
N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine
CID 116939392
2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide
CID 116850457
N,2-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 116948789
N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide
CID 116847099
amino-(6-methyl-1,3-benzodioxol-5-yl)methanethiol
CID 116939551
1-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 116932852
N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine
CID 116964754
1-N,3-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)butane-1,3-diamine
CID 116949180
2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butanenitrile
CID 116960617

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol?
The IUPAC name of 4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol (CID 116953026) is 4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol.
What is the SMILES notation for 4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol?
The canonical SMILES for 4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol is CNC(CCCO)c1cc2c(cc1C)OCO2.
What is the InChIKey of 4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol?
The InChIKey is FSEDVVGRONPIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-6-12-13(17-8-16-12)7-10(9)11(14-2)4-3-5-15/h6-7,11,14-15H,3-5,8H2,1-2H3.
What are the key properties of 4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol?
4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol has a molecular weight of 237.30 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol is sourced from PubChem (CID 116953026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).