3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol

C15H23NO3 — CID 116960192

IUPAC3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol
SMILESCNC(c1cc2c(cc1C)OCO2)C(CO)C(C)C
InChIInChI=1S/C15H23NO3/c1-9(2)12(7-17)15(16-4)11-6-14-13(5-10(11)3)18-8-19-14/h5-6,9,12,15-17H,7-8H2,1-4H3
InChIKeyFVFKLLKTSJSMPR-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.25
Rot. Bonds5

About 3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol

3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol (PubChem CID 116960192) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol.

Molecular Properties

Compound Name3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol
PubChem CID116960192
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol
SMILESCNC(c1cc2c(cc1C)OCO2)C(CO)C(C)C
InChIInChI=1S/C15H23NO3/c1-9(2)12(7-17)15(16-4)11-6-14-13(5-10(11)3)18-8-19-14/h5-6,9,12,15-17H,7-8H2,1-4H3
InChIKeyFVFKLLKTSJSMPR-UHFFFAOYSA-N
XLogP2.25
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]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

N,2-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 116948789
2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 105424279
2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butanenitrile
CID 116960617
4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol
CID 116953026
N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine
CID 116939392
N,2-dimethyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)propane-1,3-diamine
CID 116948739
N'-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)propanehydrazide
CID 116847099
N,N'-dimethyl-2-propan-2-yl-1-(2,4,5-trimethylphenyl)propane-1,3-diamine
CID 116960352
N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine
CID 116964754
2,2-dimethyl-3-(methylamino)-3-(6-methyl-1,3-benzodioxol-5-yl)propanoic acid
CID 116953267
2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide
CID 116850457
1-N,4-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)pentane-1,4-diamine
CID 116950251

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol?
The IUPAC name of 3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol (CID 116960192) is 3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol.
What is the SMILES notation for 3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol?
The canonical SMILES for 3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol is CNC(c1cc2c(cc1C)OCO2)C(CO)C(C)C.
What is the InChIKey of 3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol?
The InChIKey is FVFKLLKTSJSMPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9(2)12(7-17)15(16-4)11-6-14-13(5-10(11)3)18-8-19-14/h5-6,9,12,15-17H,7-8H2,1-4H3.
What are the key properties of 3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol?
3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol has a molecular weight of 265.35 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol is sourced from PubChem (CID 116960192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).