3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine

C11H15NO2 — CID 117283708

IUPAC3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine
SMILESCc1cc(CCCN)c2c(c1)OCO2
InChIInChI=1S/C11H15NO2/c1-8-5-9(3-2-4-12)11-10(6-8)13-7-14-11/h5-6H,2-4,7,12H2,1H3
InChIKeyAYEBAXQFZOEOEB-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.62
Rot. Bonds3

About 3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine

3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine (PubChem CID 117283708) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine
PubChem CID117283708
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine
SMILESCc1cc(CCCN)c2c(c1)OCO2
InChIInChI=1S/C11H15NO2/c1-8-5-9(3-2-4-12)11-10(6-8)13-7-14-11/h5-6H,2-4,7,12H2,1H3
InChIKeyAYEBAXQFZOEOEB-UHFFFAOYSA-N
XLogP1.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-amine
CID 117326589
4-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]butan-1-amine
CID 117359470
1-[2-(6-methyl-1,3-benzodioxol-4-yl)ethyl]piperazine
CID 117374191
3-(2,3,5-trimethylphenyl)propan-1-amine
CID 117277650
2,2-dimethyl-3-(6-methyl-1,3-benzodioxol-4-yl)propanoic acid
CID 117344660
4-(7-tert-butyl-2,3-dihydro-1,4-benzodioxin-5-yl)butan-1-amine
CID 70645558
3-(7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propan-1-amine
CID 117319788
2-(4-chloro-6-methyl-1,3-benzodioxol-5-yl)ethanamine
CID 84679932
2-amino-2-(6-methyl-1,3-benzodioxol-4-yl)ethanol
CID 117285168
4-ethynyl-6-methyl-1,3-benzodioxole
CID 89425862
6-methyl-1,3-benzodioxole-4-carbaldehyde
CID 58304897
2-methyl-1-(7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl)propan-2-amine
CID 117316768

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine?
The IUPAC name of 3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine (CID 117283708) is 3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine.
What is the SMILES notation for 3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine?
The canonical SMILES for 3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine is Cc1cc(CCCN)c2c(c1)OCO2.
What is the InChIKey of 3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine?
The InChIKey is AYEBAXQFZOEOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8-5-9(3-2-4-12)11-10(6-8)13-7-14-11/h5-6H,2-4,7,12H2,1H3.
What are the key properties of 3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine?
3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine has a molecular weight of 193.25 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-1,3-benzodioxol-4-yl)propan-1-amine is sourced from PubChem (CID 117283708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).