7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine

C17H19NO6 — CID 171920024

IUPAC7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine
SMILESCOc1cc(Nc2ccc(OC)c3c2OCO3)cc(OC)c1OC
InChIInChI=1S/C17H19NO6/c1-19-12-6-5-11(15-17(12)24-9-23-15)18-10-7-13(20-2)16(22-4)14(8-10)21-3/h5-8,18H,9H2,1-4H3
InChIKeyJNFNVNJPDMZMEI-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.19
Rot. Bonds6

About 7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine

7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine (PubChem CID 171920024) has the molecular formula C17H19NO6 and a molecular weight of 333.34 g/mol. Its IUPAC name is 7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine.

Molecular Properties

Compound Name7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine
PubChem CID171920024
Molecular FormulaC17H19NO6
Molecular Weight333.34 g/mol
Exact Mass333.12
IUPAC Name7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine
SMILESCOc1cc(Nc2ccc(OC)c3c2OCO3)cc(OC)c1OC
InChIInChI=1S/C17H19NO6/c1-19-12-6-5-11(15-17(12)24-9-23-15)18-10-7-13(20-2)16(22-4)14(8-10)21-3/h5-8,18H,9H2,1-4H3
InChIKeyJNFNVNJPDMZMEI-UHFFFAOYSA-N
XLogP3.19
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-N,2-N-bis(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 171934003
5-methoxy-N-(2,3,4-trimethoxyphenyl)-2,3-dihydro-1,4-benzodioxin-8-amine
CID 171920117
2-methoxy-4,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline
CID 171920030
N-(2,3,4-trimethoxyphenyl)-1,3-benzodioxol-4-amine
CID 171920112
4-bromo-1-N-(3,4,5-trimethoxyphenyl)benzene-1,2-diamine
CID 29066562
methyl 6-(3,4,5-trimethoxyanilino)-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 163322346
methyl 7-methoxy-1,3-benzodioxole-4-carboxylate
CID 19967040
N-(2,4-dinitrophenyl)-3,4,5-trimethoxyaniline
CID 9279315
4-bromo-2,5-dimethyl-N-(3,4,5-trimethoxyphenyl)aniline
CID 101056079
4-methoxy-7-propyl-1,3-benzodioxole
CID 14601156
N-(1,3-benzodioxol-5-yl)-2-(3,4,5-trimethoxyanilino)propanamide
CID 51167835
N-(3-chlorophenyl)-3,4,5-trimethoxyaniline
CID 102029180

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine?
The IUPAC name of 7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine (CID 171920024) is 7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine.
What is the SMILES notation for 7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine?
The canonical SMILES for 7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine is COc1cc(Nc2ccc(OC)c3c2OCO3)cc(OC)c1OC.
What is the InChIKey of 7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine?
The InChIKey is JNFNVNJPDMZMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO6/c1-19-12-6-5-11(15-17(12)24-9-23-15)18-10-7-13(20-2)16(22-4)14(8-10)21-3/h5-8,18H,9H2,1-4H3.
What are the key properties of 7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine?
7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine has a molecular weight of 333.34 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(3,4,5-trimethoxyphenyl)-1,3-benzodioxol-4-amine is sourced from PubChem (CID 171920024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).