2,4-dimethoxy-3-methyl-5-prop-2-enoxyaniline

C12H17NO3 — CID 10944081

IUPAC2,4-dimethoxy-3-methyl-5-prop-2-enoxyaniline
SMILESC=CCOc1cc(N)c(OC)c(C)c1OC
InChIInChI=1S/C12H17NO3/c1-5-6-16-10-7-9(13)11(14-3)8(2)12(10)15-4/h5,7H,1,6,13H2,2-4H3
InChIKeyFCAOWJDXPMQJID-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.16
Rot. Bonds5

About 2,4-dimethoxy-3-methyl-5-prop-2-enoxyaniline

2,4-dimethoxy-3-methyl-5-prop-2-enoxyaniline (PubChem CID 10944081) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2,4-dimethoxy-3-methyl-5-prop-2-enoxyaniline.

Molecular Properties

Compound Name2,4-dimethoxy-3-methyl-5-prop-2-enoxyaniline
PubChem CID10944081
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2,4-dimethoxy-3-methyl-5-prop-2-enoxyaniline
SMILESC=CCOc1cc(N)c(OC)c(C)c1OC
InChIInChI=1S/C12H17NO3/c1-5-6-16-10-7-9(13)11(14-3)8(2)12(10)15-4/h5,7H,1,6,13H2,2-4H3
InChIKeyFCAOWJDXPMQJID-UHFFFAOYSA-N
XLogP2.16
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[(Z)-2-(3-amino-4-methoxyphenyl)ethenyl]-2,3,4-trimethoxyaniline
CID 16090839
2,4,5-Trimethoxyaniline
CID 12410138
2,4,5-Trimethoxy-3-methylaniline
CID 23250125
1,2,3-Trimethoxy-5,6-dihydrobenzo[b][1]benzoxepin-8-amine
CID 171350584
2-Ethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline
CID 143974570
2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 118495154
L 662025
CID 129699
2,2-Dimethyl-7-methoxy-2,3-dihydrobenzo-furan-5-amine
CID 84772789
2,2-Dimethyl-7-propoxy-2,3-dihydrobenzofuran-5-amine
CID 129823766
2,2-Dimethyl-7-ethoxy-2,3-dihydrobenzofuran-5-amine
CID 129823914
3-(2-Benzyl-5-fluoro-3,4-dimethoxyphenoxy)aniline
CID 143467126
8-Methyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1,4-benzodioxin-5-amine;hydrochloride
CID 177305511

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-3-methyl-5-prop-2-enoxyaniline?
The IUPAC name of 2,4-dimethoxy-3-methyl-5-prop-2-enoxyaniline (CID 10944081) is 2,4-dimethoxy-3-methyl-5-prop-2-enoxyaniline.
What is the SMILES notation for 2,4-dimethoxy-3-methyl-5-prop-2-enoxyaniline?
The canonical SMILES for 2,4-dimethoxy-3-methyl-5-prop-2-enoxyaniline is C=CCOc1cc(N)c(OC)c(C)c1OC.
What is the InChIKey of 2,4-dimethoxy-3-methyl-5-prop-2-enoxyaniline?
The InChIKey is FCAOWJDXPMQJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-5-6-16-10-7-9(13)11(14-3)8(2)12(10)15-4/h5,7H,1,6,13H2,2-4H3.
What are the key properties of 2,4-dimethoxy-3-methyl-5-prop-2-enoxyaniline?
2,4-dimethoxy-3-methyl-5-prop-2-enoxyaniline has a molecular weight of 223.27 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-3-methyl-5-prop-2-enoxyaniline is sourced from PubChem (CID 10944081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).