2-N-(2-ethenyl-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine

C16H18N2O2 — CID 123437927

IUPAC2-N-(2-ethenyl-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine
SMILESC=Cc1c(Nc2c(N)cccc2OC)cccc1OC
InChIInChI=1S/C16H18N2O2/c1-4-11-13(8-6-9-14(11)19-2)18-16-12(17)7-5-10-15(16)20-3/h4-10,18H,1,17H2,2-3H3
InChIKeyBPDNVYAGCINLAY-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.67
Rot. Bonds5

About 2-N-(2-ethenyl-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine

2-N-(2-ethenyl-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine (PubChem CID 123437927) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-N-(2-ethenyl-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethenyl-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine
PubChem CID123437927
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-N-(2-ethenyl-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine
SMILESC=Cc1c(Nc2c(N)cccc2OC)cccc1OC
InChIInChI=1S/C16H18N2O2/c1-4-11-13(8-6-9-14(11)19-2)18-16-12(17)7-5-10-15(16)20-3/h4-10,18H,1,17H2,2-3H3
InChIKeyBPDNVYAGCINLAY-UHFFFAOYSA-N
XLogP3.67
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethenyl-3-methoxyphenyl)-2,2-dimethylpropanamide
CID 20571856
2-(2-aminoanilino)-3-methoxybenzonitrile
CID 107466495
ethyl 3-amino-2-(2-methoxyanilino)benzoate
CID 115933822
3-methoxy-2-[(E)-prop-1-enyl]aniline
CID 131242530
2-ethenyl-3-methoxybenzaldehyde
CID 10487197
2-N-(4-methoxy-2,5-dimethylphenyl)-3-methylbenzene-1,2-diamine
CID 115125930
2-ethenyl-3-methoxybenzamide
CID 177056846
3-methoxy-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 167734117
4-chloro-3-fluoro-2-N-(2-methoxyphenyl)benzene-1,2-diamine
CID 114271071
2,6-dimethoxyaniline;ethane
CID 145233133
3-methoxy-1-N-(2,3,5,6-tetrafluorophenyl)benzene-1,2-diamine
CID 107643367
1-(2-ethenyl-3-methoxyphenyl)pyridin-1-ium
CID 67753732

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethenyl-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine?
The IUPAC name of 2-N-(2-ethenyl-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine (CID 123437927) is 2-N-(2-ethenyl-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethenyl-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-ethenyl-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine is C=Cc1c(Nc2c(N)cccc2OC)cccc1OC.
What is the InChIKey of 2-N-(2-ethenyl-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine?
The InChIKey is BPDNVYAGCINLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-4-11-13(8-6-9-14(11)19-2)18-16-12(17)7-5-10-15(16)20-3/h4-10,18H,1,17H2,2-3H3.
What are the key properties of 2-N-(2-ethenyl-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine?
2-N-(2-ethenyl-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine has a molecular weight of 270.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethenyl-3-methoxyphenyl)-3-methoxybenzene-1,2-diamine is sourced from PubChem (CID 123437927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).