1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol

C15H23NO3 — CID 82315713

IUPAC1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol
SMILESC=CCNCC(O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C15H23NO3/c1-4-9-16-11-13(17)12-7-8-14(18-5-2)15(10-12)19-6-3/h4,7-8,10,13,16-17H,1,5-6,9,11H2,2-3H3
InChIKeyHTWYXASKQMASPM-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.29
Rot. Bonds9

About 1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol

1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol (PubChem CID 82315713) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol.

Molecular Properties

Compound Name1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol
PubChem CID82315713
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol
SMILESC=CCNCC(O)c1ccc(OCC)c(OCC)c1
InChIInChI=1S/C15H23NO3/c1-4-9-16-11-13(17)12-7-8-14(18-5-2)15(10-12)19-6-3/h4,7-8,10,13,16-17H,1,5-6,9,11H2,2-3H3
InChIKeyHTWYXASKQMASPM-UHFFFAOYSA-N
XLogP2.29
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(3,4-diethoxyphenyl)-2-hydroxyethyl]amino]acetic acid
CID 82315710
(1S)-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82758130
3-[bis(prop-2-enyl)amino]-1-(3,4-diethoxyphenyl)propan-1-ol
CID 82073670
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
1-(3,4-diethoxyphenyl)-3-methoxypropan-1-ol
CID 62789961
1-(3,4-diethoxyphenyl)prop-2-en-1-amine
CID 105000806
1-(3,4-diethoxyphenyl)-2-ethoxybutan-1-ol
CID 116711202
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-3,4-diethoxybenzamide
CID 90613391
1-(3,4-diethoxyphenyl)hex-5-enylhydrazine
CID 105311210
1-(4-butoxy-3-ethoxyphenyl)butan-1-ol
CID 83952160
(2R)-1-[(3-ethoxy-4-prop-2-enoxyphenyl)methylamino]propan-2-ol
CID 7991496
[4-[(1R)-1-hydroxy-2-(prop-2-enylamino)ethyl]phenyl] methanesulfonate
CID 87367548

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol?
The IUPAC name of 1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol (CID 82315713) is 1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol.
What is the SMILES notation for 1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol?
The canonical SMILES for 1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol is C=CCNCC(O)c1ccc(OCC)c(OCC)c1.
What is the InChIKey of 1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol?
The InChIKey is HTWYXASKQMASPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-9-16-11-13(17)12-7-8-14(18-5-2)15(10-12)19-6-3/h4,7-8,10,13,16-17H,1,5-6,9,11H2,2-3H3.
What are the key properties of 1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol?
1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol has a molecular weight of 265.35 g/mol, XLogP of 2.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diethoxyphenyl)-2-(prop-2-enylamino)ethanol is sourced from PubChem (CID 82315713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).