N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine

C13H19NO2 — CID 116964754

IUPACN-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine
SMILESCCC(CNC)c1cc2c(cc1C)OCO2
InChIInChI=1S/C13H19NO2/c1-4-10(7-14-3)11-6-13-12(5-9(11)2)15-8-16-13/h5-6,10,14H,4,7-8H2,1-3H3
InChIKeyUOAREMCHOJUPEN-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.44
Rot. Bonds4

About N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine

N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine (PubChem CID 116964754) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine
PubChem CID116964754
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine
SMILESCCC(CNC)c1cc2c(cc1C)OCO2
InChIInChI=1S/C13H19NO2/c1-4-10(7-14-3)11-6-13-12(5-9(11)2)15-8-16-13/h5-6,10,14H,4,7-8H2,1-3H3
InChIKeyUOAREMCHOJUPEN-UHFFFAOYSA-N
XLogP2.44
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butanenitrile
CID 116960617
N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine
CID 116939392
2-(4-ethoxy-2,5-dimethylphenyl)-N-methylbutan-1-amine
CID 112508260
2-(methylaminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115188767
2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 105424279
N,2-dimethyl-1-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 116948789
amino-(6-methyl-1,3-benzodioxol-5-yl)methanethiol
CID 116939551
4-(methylamino)-4-(6-methyl-1,3-benzodioxol-5-yl)butan-1-ol
CID 116953026
1-(6-methyl-1,3-benzodioxol-5-yl)propane-1,3-diamine
CID 116932852
1-(6-methyl-1,3-benzodioxol-5-yl)prop-2-en-1-amine
CID 83636881
3-methyl-2-[methylamino-(6-methyl-1,3-benzodioxol-5-yl)methyl]butan-1-ol
CID 116960192
2-amino-N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)acetamide
CID 116850457

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine?
The IUPAC name of N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine (CID 116964754) is N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine.
What is the SMILES notation for N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine?
The canonical SMILES for N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine is CCC(CNC)c1cc2c(cc1C)OCO2.
What is the InChIKey of N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine?
The InChIKey is UOAREMCHOJUPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-10(7-14-3)11-6-13-12(5-9(11)2)15-8-16-13/h5-6,10,14H,4,7-8H2,1-3H3.
What are the key properties of N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine?
N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(6-methyl-1,3-benzodioxol-5-yl)butan-1-amine is sourced from PubChem (CID 116964754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).