N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine

C15H15NO3 — CID 171920461

IUPACN-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine
SMILESCOc1c(C)cccc1Nc1cccc2c1OCO2
InChIInChI=1S/C15H15NO3/c1-10-5-3-6-11(14(10)17-2)16-12-7-4-8-13-15(12)19-9-18-13/h3-8,16H,9H2,1-2H3
InChIKeyMZBRLOYKGIYIQH-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.48
Rot. Bonds3

About N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine

N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine (PubChem CID 171920461) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine.

Molecular Properties

Compound NameN-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine
PubChem CID171920461
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC NameN-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine
SMILESCOc1c(C)cccc1Nc1cccc2c1OCO2
InChIInChI=1S/C15H15NO3/c1-10-5-3-6-11(14(10)17-2)16-12-7-4-8-13-15(12)19-9-18-13/h3-8,16H,9H2,1-2H3
InChIKeyMZBRLOYKGIYIQH-UHFFFAOYSA-N
XLogP3.48
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3,4-trimethoxyphenyl)-1,3-benzodioxol-4-amine
CID 171920112
N-(1,3-benzodioxol-4-yl)-6-methoxyquinolin-4-amine
CID 154343278
N-methyl-1,3-benzodioxol-4-amine
CID 55252977
4-(2-methylphenyl)-1,3-benzodioxole
CID 22344656
4,5-dimethoxy-6-methyl-1,3-benzodioxole
CID 59720306
N-(cyclobutylmethyl)-1,3-benzodioxol-4-amine
CID 164539583
2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine
CID 87397533
N-(3,5-difluorophenyl)-2-methoxy-3-methylaniline
CID 171920464
4,9-dimethoxybenzo[f][1,3]benzodioxole
CID 12558262
ethane;4-methyl-1,3-benzodioxole;5-methyl-1,3-benzodioxole
CID 178084846
N-(1,3-benzodioxol-4-ylmethyl)-3-bromo-2-(methoxymethyl)aniline
CID 61168746
5-methylbenzo[g][1,3]benzodioxole
CID 90367464

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine?
The IUPAC name of N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine (CID 171920461) is N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine.
What is the SMILES notation for N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine?
The canonical SMILES for N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine is COc1c(C)cccc1Nc1cccc2c1OCO2.
What is the InChIKey of N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine?
The InChIKey is MZBRLOYKGIYIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-5-3-6-11(14(10)17-2)16-12-7-4-8-13-15(12)19-9-18-13/h3-8,16H,9H2,1-2H3.
What are the key properties of N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine?
N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine has a molecular weight of 257.29 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine is sourced from PubChem (CID 171920461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).