4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol

C13H19NO2 — CID 170868751

IUPAC4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol
SMILESC=CCc1cc(CCN)cc(OCC)c1O
InChIInChI=1S/C13H19NO2/c1-3-5-11-8-10(6-7-14)9-12(13(11)15)16-4-2/h3,8-9,15H,1,4-7,14H2,2H3
InChIKeyCZVFNAMBZWKCCW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.02
Rot. Bonds6

About 4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol

4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol (PubChem CID 170868751) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol
PubChem CID170868751
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol
SMILESC=CCc1cc(CCN)cc(OCC)c1O
InChIInChI=1S/C13H19NO2/c1-3-5-11-8-10(6-7-14)9-12(13(11)15)16-4-2/h3,8-9,15H,1,4-7,14H2,2H3
InChIKeyCZVFNAMBZWKCCW-UHFFFAOYSA-N
XLogP2.02
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.02
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

2,6-bis(prop-2-enyl)-4-propylphenol
CID 67656083
(3-ethoxy-4-prop-2-enoxy-5-prop-2-enylphenyl)methanamine
CID 54849601
4-chloro-1-ethoxy-2-prop-2-enylbenzene
CID 91657308
2-ethoxy-4-[(2-methylphenyl)iminomethyl]-6-prop-2-enylphenol
CID 137162256
3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanal
CID 88801025
(3-ethoxy-5-prop-2-enyl-4-prop-2-ynoxyphenyl)methanol
CID 126123356
4-[(2-bromophenyl)iminomethyl]-2-ethoxy-6-prop-2-enylphenol
CID 137173615
2-ethoxy-4-[(2-iodophenyl)iminomethyl]-6-prop-2-enylphenol
CID 137162393
methyl 3-[4-hydroxy-3,5-bis(prop-2-enyl)phenyl]propanoate
CID 54045829
(Z)-3-(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)-2-(4-methylphenyl)prop-2-enenitrile
CID 954941
N-[(5Z)-5-[(3-ethoxy-4-hydroxy-5-prop-2-enylphenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]acetamide
CID 6279024
1,4-diethoxy-2-prop-2-enylbenzene
CID 24770734

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol?
The IUPAC name of 4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol (CID 170868751) is 4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol.
What is the SMILES notation for 4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol?
The canonical SMILES for 4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol is C=CCc1cc(CCN)cc(OCC)c1O.
What is the InChIKey of 4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol?
The InChIKey is CZVFNAMBZWKCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-5-11-8-10(6-7-14)9-12(13(11)15)16-4-2/h3,8-9,15H,1,4-7,14H2,2H3.
What are the key properties of 4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol?
4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol has a molecular weight of 221.30 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-ethoxy-6-prop-2-enylphenol is sourced from PubChem (CID 170868751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).