6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine

C11H15NO2 — CID 83698244

IUPAC6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine
SMILESCc1cc2c(cc1NC(C)C)OCO2
InChIInChI=1S/C11H15NO2/c1-7(2)12-9-5-11-10(4-8(9)3)13-6-14-11/h4-5,7,12H,6H2,1-3H3
InChIKeySYYYFVFOOIYUCQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.54
Rot. Bonds2

About 6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine

6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine (PubChem CID 83698244) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine.

Molecular Properties

Compound Name6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine
PubChem CID83698244
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine
SMILESCc1cc2c(cc1NC(C)C)OCO2
InChIInChI=1S/C11H15NO2/c1-7(2)12-9-5-11-10(4-8(9)3)13-6-14-11/h4-5,7,12H,6H2,1-3H3
InChIKeySYYYFVFOOIYUCQ-UHFFFAOYSA-N
XLogP2.54
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine 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

2-[(6-methyl-1,3-benzodioxol-5-yl)amino]propanamide
CID 167856891
2-methyl-N'-(6-methyl-1,3-benzodioxol-5-yl)butane-1,4-diamine
CID 115203011
2-methyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]-3-oxopropanoic acid
CID 115164154
3-methyl-2-[[(6-methyl-1,3-benzodioxol-5-yl)amino]methyl]butanenitrile
CID 115254302
2-methyl-3-[(6-methyl-1,3-benzodioxol-5-yl)amino]propanoic acid
CID 115219286
2-methyl-1-[(6-methyl-1,3-benzodioxol-5-yl)amino]propan-2-ol
CID 115136804
3-methyl-2-[(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)amino]butan-1-ol
CID 115137313
3-[(6-methyl-1,3-benzodioxol-5-yl)amino]propane-1-thiol
CID 115224661
2-methyl-2-N-(6-methyl-1,3-benzodioxol-5-yl)propane-1,2-diamine
CID 115131703
2-(aminomethyl)-3-methyl-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115187485
2-(aminomethyl)-N-(6-methyl-1,3-benzodioxol-5-yl)butanamide
CID 115186861
N'-methyl-1-(6-methyl-1,3-benzodioxol-5-yl)methanediamine
CID 116939392

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine?
The IUPAC name of 6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine (CID 83698244) is 6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine.
What is the SMILES notation for 6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine?
The canonical SMILES for 6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine is Cc1cc2c(cc1NC(C)C)OCO2.
What is the InChIKey of 6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine?
The InChIKey is SYYYFVFOOIYUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7(2)12-9-5-11-10(4-8(9)3)13-6-14-11/h4-5,7,12H,6H2,1-3H3.
What are the key properties of 6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine?
6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine has a molecular weight of 193.25 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-propan-2-yl-1,3-benzodioxol-5-amine is sourced from PubChem (CID 83698244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).