4,5-dimethoxy-2-prop-2-enylaniline

C11H15NO2 — CID 606353

IUPAC4,5-dimethoxy-2-prop-2-enylaniline
SMILESC=CCc1cc(OC)c(OC)cc1N
InChIInChI=1S/C11H15NO2/c1-4-5-8-6-10(13-2)11(14-3)7-9(8)12/h4,6-7H,1,5,12H2,2-3H3
InChIKeyHFEJTRNCHBWDOQ-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.01
Rot. Bonds4

About 4,5-dimethoxy-2-prop-2-enylaniline

4,5-dimethoxy-2-prop-2-enylaniline (PubChem CID 606353) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4,5-dimethoxy-2-prop-2-enylaniline.

Molecular Properties

Compound Name4,5-dimethoxy-2-prop-2-enylaniline
PubChem CID606353
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4,5-dimethoxy-2-prop-2-enylaniline
SMILESC=CCc1cc(OC)c(OC)cc1N
InChIInChI=1S/C11H15NO2/c1-4-5-8-6-10(13-2)11(14-3)7-9(8)12/h4,6-7H,1,5,12H2,2-3H3
InChIKeyHFEJTRNCHBWDOQ-UHFFFAOYSA-N
XLogP2.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,5-diethoxy-2-methoxy-4-prop-2-enylbenzene
CID 22295057
4-methoxy-6-prop-2-enylbenzene-1,3-diol
CID 15775117
2,3,4-trimethoxy-6-prop-2-enylphenol
CID 44719618
2-amino-4,5-dimethoxy-N,N-bis(prop-2-enyl)benzamide
CID 61118260
5-methyl-2-prop-2-enylaniline
CID 45078970
prop-2-enyl 2-amino-4,5-dimethoxybenzoate
CID 19432548
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine
CID 47002652
4,5-dimethoxy-2-[2-(methylamino)ethyl]aniline
CID 22439028
1-methoxy-4-(4-methoxy-3-prop-2-enylphenoxy)-2-prop-2-enylbenzene
CID 144777892
1,2-dimethoxy-5-methyl-3-prop-2-enylbenzene
CID 101116168
(3,4-dimethoxy-5-prop-2-enylphenyl)methanamine;hydrochloride
CID 47002651
1-methoxy-4-(methoxymethyl)-2-prop-2-enylbenzene
CID 59727862

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-prop-2-enylaniline?
The IUPAC name of 4,5-dimethoxy-2-prop-2-enylaniline (CID 606353) is 4,5-dimethoxy-2-prop-2-enylaniline.
What is the SMILES notation for 4,5-dimethoxy-2-prop-2-enylaniline?
The canonical SMILES for 4,5-dimethoxy-2-prop-2-enylaniline is C=CCc1cc(OC)c(OC)cc1N.
What is the InChIKey of 4,5-dimethoxy-2-prop-2-enylaniline?
The InChIKey is HFEJTRNCHBWDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-4-5-8-6-10(13-2)11(14-3)7-9(8)12/h4,6-7H,1,5,12H2,2-3H3.
What are the key properties of 4,5-dimethoxy-2-prop-2-enylaniline?
4,5-dimethoxy-2-prop-2-enylaniline has a molecular weight of 193.25 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-prop-2-enylaniline is sourced from PubChem (CID 606353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).