5-[2-[2-(3-hydroxyphenyl)ethylamino]prop-2-enyl]-2-methylphenol

C18H21NO2 — CID 144524629

IUPAC5-[2-[2-(3-hydroxyphenyl)ethylamino]prop-2-enyl]-2-methylphenol
SMILESC=C(Cc1ccc(C)c(O)c1)NCCc1cccc(O)c1
InChIInChI=1S/C18H21NO2/c1-13-6-7-16(12-18(13)21)10-14(2)19-9-8-15-4-3-5-17(20)11-15/h3-7,11-12,19-21H,2,8-10H2,1H3
InChIKeyGEJDJPJJZNHBRQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.29
Rot. Bonds6

About 5-[2-[2-(3-hydroxyphenyl)ethylamino]prop-2-enyl]-2-methylphenol

5-[2-[2-(3-hydroxyphenyl)ethylamino]prop-2-enyl]-2-methylphenol (PubChem CID 144524629) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 5-[2-[2-(3-hydroxyphenyl)ethylamino]prop-2-enyl]-2-methylphenol.

Molecular Properties

Compound Name5-[2-[2-(3-hydroxyphenyl)ethylamino]prop-2-enyl]-2-methylphenol
PubChem CID144524629
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name5-[2-[2-(3-hydroxyphenyl)ethylamino]prop-2-enyl]-2-methylphenol
SMILESC=C(Cc1ccc(C)c(O)c1)NCCc1cccc(O)c1
InChIInChI=1S/C18H21NO2/c1-13-6-7-16(12-18(13)21)10-14(2)19-9-8-15-4-3-5-17(20)11-15/h3-7,11-12,19-21H,2,8-10H2,1H3
InChIKeyGEJDJPJJZNHBRQ-UHFFFAOYSA-N
XLogP3.29
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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3-(2-methylprop-2-enyl)phenol
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5-[(3-hydroxyphenyl)methylamino]-2-methylphenol
CID 22983329
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ethyl 2-[2-(3-hydroxyphenyl)ethylamino]-2-oxoacetate
CID 110481887
2-[2-(3-hydroxyphenyl)ethyl]phenol
CID 10560581
N-[2-(3-hydroxyphenyl)ethyl]-2-sulfanylacetamide
CID 141064187
N-[2-(3-hydroxyphenyl)ethyl]-6-methylpyridine-2-carboxamide
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CID 86883297

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(3-hydroxyphenyl)ethylamino]prop-2-enyl]-2-methylphenol?
The IUPAC name of 5-[2-[2-(3-hydroxyphenyl)ethylamino]prop-2-enyl]-2-methylphenol (CID 144524629) is 5-[2-[2-(3-hydroxyphenyl)ethylamino]prop-2-enyl]-2-methylphenol.
What is the SMILES notation for 5-[2-[2-(3-hydroxyphenyl)ethylamino]prop-2-enyl]-2-methylphenol?
The canonical SMILES for 5-[2-[2-(3-hydroxyphenyl)ethylamino]prop-2-enyl]-2-methylphenol is C=C(Cc1ccc(C)c(O)c1)NCCc1cccc(O)c1.
What is the InChIKey of 5-[2-[2-(3-hydroxyphenyl)ethylamino]prop-2-enyl]-2-methylphenol?
The InChIKey is GEJDJPJJZNHBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-13-6-7-16(12-18(13)21)10-14(2)19-9-8-15-4-3-5-17(20)11-15/h3-7,11-12,19-21H,2,8-10H2,1H3.
What are the key properties of 5-[2-[2-(3-hydroxyphenyl)ethylamino]prop-2-enyl]-2-methylphenol?
5-[2-[2-(3-hydroxyphenyl)ethylamino]prop-2-enyl]-2-methylphenol has a molecular weight of 283.37 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(3-hydroxyphenyl)ethylamino]prop-2-enyl]-2-methylphenol is sourced from PubChem (CID 144524629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).