4,5-dimethoxy-2-(1-methoxyethenyl)aniline

C11H15NO3 — CID 90350857

IUPAC4,5-dimethoxy-2-(1-methoxyethenyl)aniline
SMILESC=C(OC)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C11H15NO3/c1-7(13-2)8-5-10(14-3)11(15-4)6-9(8)12/h5-6H,1,12H2,2-4H3
InChIKeyPJXJTNIMIAXSOX-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.90
Rot. Bonds4

About 4,5-dimethoxy-2-(1-methoxyethenyl)aniline

4,5-dimethoxy-2-(1-methoxyethenyl)aniline (PubChem CID 90350857) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(1-methoxyethenyl)aniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-(1-methoxyethenyl)aniline
PubChem CID90350857
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name4,5-dimethoxy-2-(1-methoxyethenyl)aniline
SMILESC=C(OC)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C11H15NO3/c1-7(13-2)8-5-10(14-3)11(15-4)6-9(8)12/h5-6H,1,12H2,2-4H3
InChIKeyPJXJTNIMIAXSOX-UHFFFAOYSA-N
XLogP1.90
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4,5-dimethoxybenzenecarbothioamide
CID 82673739
2-amino-N-hydroxy-4,5-dimethoxybenzamide
CID 11535831
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
methyl 2,5-diamino-4-methoxybenzoate
CID 171030789
1-(2-amino-4,5-dimethoxyphenyl)propan-1-one
CID 7148511
prop-2-enyl 2-amino-4,5-dimethoxybenzoate
CID 19432548
2-amino-4,5-dimethoxy-N-methylbenzohydrazide
CID 145124941
2-amino-4,5-dihydroxybenzoic acid;2-amino-4,5-dimethoxybenzoic acid
CID 159164706
methyl 2-amino-4-methoxy-5-propan-2-yloxybenzoate
CID 84799543
2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide
CID 43825333
methyl 2-amino-5-methoxy-4-(2-methoxyethoxy)benzoate
CID 66876535
2-amino-N,N-diethyl-4,5-dimethoxybenzamide
CID 16776188

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(1-methoxyethenyl)aniline?
The IUPAC name of 4,5-dimethoxy-2-(1-methoxyethenyl)aniline (CID 90350857) is 4,5-dimethoxy-2-(1-methoxyethenyl)aniline.
What is the SMILES notation for 4,5-dimethoxy-2-(1-methoxyethenyl)aniline?
The canonical SMILES for 4,5-dimethoxy-2-(1-methoxyethenyl)aniline is C=C(OC)c1cc(OC)c(OC)cc1N.
What is the InChIKey of 4,5-dimethoxy-2-(1-methoxyethenyl)aniline?
The InChIKey is PJXJTNIMIAXSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(13-2)8-5-10(14-3)11(15-4)6-9(8)12/h5-6H,1,12H2,2-4H3.
What are the key properties of 4,5-dimethoxy-2-(1-methoxyethenyl)aniline?
4,5-dimethoxy-2-(1-methoxyethenyl)aniline has a molecular weight of 209.24 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(1-methoxyethenyl)aniline is sourced from PubChem (CID 90350857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).