2-(3,4-diethoxyphenyl)ethenamine

C12H17NO2 — CID 70502860

IUPAC2-(3,4-diethoxyphenyl)ethenamine
SMILESCCOc1ccc(C=CN)cc1OCC
InChIInChI=1S/C12H17NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-9H,3-4,13H2,1-2H3
InChIKeyWHGUNWYPDLNVKG-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.41
Rot. Bonds5

About 2-(3,4-diethoxyphenyl)ethenamine

2-(3,4-diethoxyphenyl)ethenamine (PubChem CID 70502860) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(3,4-diethoxyphenyl)ethenamine.

Molecular Properties

Compound Name2-(3,4-diethoxyphenyl)ethenamine
PubChem CID70502860
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(3,4-diethoxyphenyl)ethenamine
SMILESCCOc1ccc(C=CN)cc1OCC
InChIInChI=1S/C12H17NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-9H,3-4,13H2,1-2H3
InChIKeyWHGUNWYPDLNVKG-UHFFFAOYSA-N
XLogP2.41
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278
(E)-4-(3,4-diethoxyphenyl)but-3-enoic acid
CID 102534267
4-(4-ethoxy-3-methoxyphenyl)but-3-en-1-amine
CID 76996860
3-[4-(2-amino-2-oxoethoxy)-3-ethoxyphenyl]prop-2-enoic acid
CID 57361203
3-(3,4-diethoxyphenyl)-N-methoxy-N-methylprop-2-enamide
CID 102603198
(E)-3-(3-ethoxy-4-propoxyphenyl)prop-2-enenitrile
CID 82161335
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
3-(4-ethoxy-3-methoxyphenyl)prop-2-enenitrile
CID 5201241
[2-ethoxy-5-[(Z)-prop-1-enyl]phenyl] acetate
CID 46865359
3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
CID 102603082
3-[3-ethoxy-4-(ethoxymethoxy)phenyl]prop-2-enoic acid
CID 77066570
3-(4-butoxy-3-ethoxyphenyl)prop-2-enoic acid
CID 3838298

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-diethoxyphenyl)ethenamine?
The IUPAC name of 2-(3,4-diethoxyphenyl)ethenamine (CID 70502860) is 2-(3,4-diethoxyphenyl)ethenamine.
What is the SMILES notation for 2-(3,4-diethoxyphenyl)ethenamine?
The canonical SMILES for 2-(3,4-diethoxyphenyl)ethenamine is CCOc1ccc(C=CN)cc1OCC.
What is the InChIKey of 2-(3,4-diethoxyphenyl)ethenamine?
The InChIKey is WHGUNWYPDLNVKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-9H,3-4,13H2,1-2H3.
What are the key properties of 2-(3,4-diethoxyphenyl)ethenamine?
2-(3,4-diethoxyphenyl)ethenamine has a molecular weight of 207.27 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-diethoxyphenyl)ethenamine is sourced from PubChem (CID 70502860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).