N-methyl-1,3-benzodioxol-4-amine

C8H9NO2 — CID 55252977

IUPACN-methyl-1,3-benzodioxol-4-amine
SMILESCNc1cccc2c1OCO2
InChIInChI=1S/C8H9NO2/c1-9-6-3-2-4-7-8(6)11-5-10-7/h2-4,9H,5H2,1H3
InChIKeyMGYHZFCWISJIMY-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.46
Rot. Bonds1

About N-methyl-1,3-benzodioxol-4-amine

N-methyl-1,3-benzodioxol-4-amine (PubChem CID 55252977) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is N-methyl-1,3-benzodioxol-4-amine.

Molecular Properties

Compound NameN-methyl-1,3-benzodioxol-4-amine
PubChem CID55252977
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC NameN-methyl-1,3-benzodioxol-4-amine
SMILESCNc1cccc2c1OCO2
InChIInChI=1S/C8H9NO2/c1-9-6-3-2-4-7-8(6)11-5-10-7/h2-4,9H,5H2,1H3
InChIKeyMGYHZFCWISJIMY-UHFFFAOYSA-N
XLogP1.46
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,3-benzodioxol-4-yl)-1,1-difluorohydrazine
CID 87397533
N-(2-methoxy-3-methylphenyl)-1,3-benzodioxol-4-amine
CID 171920461
N-(cyclobutylmethyl)-1,3-benzodioxol-4-amine
CID 164539583
N-(2,3,4-trimethoxyphenyl)-1,3-benzodioxol-4-amine
CID 171920112
(2E)-N-(1,3-benzodioxol-4-yl)-2-hydroxyiminoacetamide
CID 166889788
N-(1,3-benzodioxol-4-ylmethyl)-2-methylsulfanylaniline
CID 43683316
4-[(Z)-prop-1-enyl]-1,3-benzodioxole
CID 89214713
4-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 102486201
4-(2-methylphenyl)-1,3-benzodioxole
CID 22344656
4-(bromomethyl)-1,3-benzodioxole
CID 22505967
1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine
CID 82711940
3-(1,3-benzodioxol-4-ylcarbamoylamino)propanoic acid
CID 122089295

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,3-benzodioxol-4-amine?
The IUPAC name of N-methyl-1,3-benzodioxol-4-amine (CID 55252977) is N-methyl-1,3-benzodioxol-4-amine.
What is the SMILES notation for N-methyl-1,3-benzodioxol-4-amine?
The canonical SMILES for N-methyl-1,3-benzodioxol-4-amine is CNc1cccc2c1OCO2.
What is the InChIKey of N-methyl-1,3-benzodioxol-4-amine?
The InChIKey is MGYHZFCWISJIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-9-6-3-2-4-7-8(6)11-5-10-7/h2-4,9H,5H2,1H3.
What are the key properties of N-methyl-1,3-benzodioxol-4-amine?
N-methyl-1,3-benzodioxol-4-amine has a molecular weight of 151.16 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,3-benzodioxol-4-amine is sourced from PubChem (CID 55252977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).