4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol

C20H25NO2 — CID 122589914

IUPAC4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol
SMILESC=CCN(CCc1ccc(O)cc1)CCc1cccc(OC)c1
InChIInChI=1S/C20H25NO2/c1-3-13-21(14-11-17-7-9-19(22)10-8-17)15-12-18-5-4-6-20(16-18)23-2/h3-10,16,22H,1,11-15H2,2H3
InChIKeyLSLILRBLTVVUFG-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.67
Rot. Bonds9

About 4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol

4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol (PubChem CID 122589914) has the molecular formula C20H25NO2 and a molecular weight of 311.43 g/mol. Its IUPAC name is 4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol
PubChem CID122589914
Molecular FormulaC20H25NO2
Molecular Weight311.43 g/mol
Exact Mass311.19
IUPAC Name4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol
SMILESC=CCN(CCc1ccc(O)cc1)CCc1cccc(OC)c1
InChIInChI=1S/C20H25NO2/c1-3-13-21(14-11-17-7-9-19(22)10-8-17)15-12-18-5-4-6-20(16-18)23-2/h3-10,16,22H,1,11-15H2,2H3
InChIKeyLSLILRBLTVVUFG-UHFFFAOYSA-N
XLogP3.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]ethanol
CID 115631911
N,N-diethyl-2-(3-methoxyphenyl)ethanamine
CID 69380986
3-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]propanoic acid
CID 82327972
N-[2-(4-hydroxyphenyl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 61017914
2-[acetyl(prop-2-enyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158522
ethyl 2-[2-(4-methoxyphenyl)ethyl-prop-2-enylamino]acetate
CID 78977811
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]phenol
CID 172871379
1-[3-[3-(3-methoxyphenyl)propyl-prop-2-enylamino]propyl]-1,3-dihydro-2-benzofuran-5-carbonitrile
CID 142649055
N-[2-(3-methoxyphenyl)ethyl]-N'-prop-2-enyloxamide
CID 44995985
3-[2-(4-methoxyphenyl)ethyl]phenol
CID 71375357
4,6-bis[2-(3-methoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870856

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol?
The IUPAC name of 4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol (CID 122589914) is 4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol.
What is the SMILES notation for 4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol?
The canonical SMILES for 4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol is C=CCN(CCc1ccc(O)cc1)CCc1cccc(OC)c1.
What is the InChIKey of 4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol?
The InChIKey is LSLILRBLTVVUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO2/c1-3-13-21(14-11-17-7-9-19(22)10-8-17)15-12-18-5-4-6-20(16-18)23-2/h3-10,16,22H,1,11-15H2,2H3.
What are the key properties of 4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol?
4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol has a molecular weight of 311.43 g/mol, XLogP of 3.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(3-methoxyphenyl)ethyl-prop-2-enylamino]ethyl]phenol is sourced from PubChem (CID 122589914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).