1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine

C13H20N2O — CID 65383447

IUPAC1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNC(CN)c1cccc(OCC)c1
InChIInChI=1S/C13H20N2O/c1-3-8-15-13(10-14)11-6-5-7-12(9-11)16-4-2/h3,5-7,9,13,15H,1,4,8,10,14H2,2H3
InChIKeyOCJPNMILUOQXGV-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.86
Rot. Bonds7

About 1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine

1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine (PubChem CID 65383447) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine
PubChem CID65383447
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNC(CN)c1cccc(OCC)c1
InChIInChI=1S/C13H20N2O/c1-3-8-15-13(10-14)11-6-5-7-12(9-11)16-4-2/h3,5-7,9,13,15H,1,4,8,10,14H2,2H3
InChIKeyOCJPNMILUOQXGV-UHFFFAOYSA-N
XLogP1.86
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65382812
ethyl 2-(3-ethoxyphenyl)-2-(prop-2-enylamino)acetate
CID 62353489
(1S)-1-(3-ethoxyphenyl)prop-2-en-1-amine
CID 171225218
1-(3-ethoxyphenyl)-N-(4-methylphenyl)ethane-1,2-diamine
CID 65376503
N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine
CID 65383474
1-(dichloromethyl)-3-ethoxybenzene
CID 54222929
3-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 81010324
[1-(3-ethoxyphenyl)-2-ethylsulfanylethyl]hydrazine
CID 105225226
2-(3-ethoxyphenyl)-N'-methylpropane-1,3-diamine
CID 20546345
[1-(3-ethoxyphenyl)-3-methylbut-3-enyl]hydrazine
CID 105192051
N-(2,2-difluoroethyl)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 115406289
1-(3-propoxyphenyl)-N-prop-2-ynylethane-1,2-diamine
CID 65380972

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of 1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine (CID 65383447) is 1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for 1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for 1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine is C=CCNC(CN)c1cccc(OCC)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine?
The InChIKey is OCJPNMILUOQXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-8-15-13(10-14)11-6-5-7-12(9-11)16-4-2/h3,5-7,9,13,15H,1,4,8,10,14H2,2H3.
What are the key properties of 1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine?
1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine has a molecular weight of 220.32 g/mol, XLogP of 1.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 65383447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).