3-[2-[2-(ethylamino)phenyl]-2-hydroxyethyl]-5-methylphenol

C17H21NO2 — CID 70632621

IUPAC3-[2-[2-(ethylamino)phenyl]-2-hydroxyethyl]-5-methylphenol
SMILESCCNc1ccccc1C(O)Cc1cc(C)cc(O)c1
InChIInChI=1S/C17H21NO2/c1-3-18-16-7-5-4-6-15(16)17(20)11-13-8-12(2)9-14(19)10-13/h4-10,17-20H,3,11H2,1-2H3
InChIKeyHFFBUBNKKOZJMY-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.41
Rot. Bonds5

About 3-[2-[2-(ethylamino)phenyl]-2-hydroxyethyl]-5-methylphenol

3-[2-[2-(ethylamino)phenyl]-2-hydroxyethyl]-5-methylphenol (PubChem CID 70632621) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[2-[2-(ethylamino)phenyl]-2-hydroxyethyl]-5-methylphenol.

Molecular Properties

Compound Name3-[2-[2-(ethylamino)phenyl]-2-hydroxyethyl]-5-methylphenol
PubChem CID70632621
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name3-[2-[2-(ethylamino)phenyl]-2-hydroxyethyl]-5-methylphenol
SMILESCCNc1ccccc1C(O)Cc1cc(C)cc(O)c1
InChIInChI=1S/C17H21NO2/c1-3-18-16-7-5-4-6-15(16)17(20)11-13-8-12(2)9-14(19)10-13/h4-10,17-20H,3,11H2,1-2H3
InChIKeyHFFBUBNKKOZJMY-UHFFFAOYSA-N
XLogP3.41
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylphenyl)-1-(2-ethylphenyl)ethanol
CID 63899918
2-(3,5-dimethylphenyl)-1-(2-methylfuran-3-yl)ethanol
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1-[2-(difluoromethoxy)phenyl]-2-(3,5-dimethylphenyl)ethanol
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3-[[ethyl(iodo)amino]methyl]-5-methylphenol
CID 143282615
1-N,2-N-diethylbenzene-1,2-diamine;hydrochloride
CID 158225673
2-[2-[2-(ethylamino)phenyl]ethyl]-6-methylbenzene-1,4-diol
CID 21390166
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
CID 111578636
5-methylbenzene-1,3-diol;propane
CID 70587781
2-(2-chlorophenyl)-3-(3,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 79436038
CID 175798397
CID 175798397
4-(ethylamino)-3-methylphenol
CID 21118573
1-(2,5-difluorophenyl)-2-(3,5-dimethylphenyl)ethanol
CID 62802583

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(ethylamino)phenyl]-2-hydroxyethyl]-5-methylphenol?
The IUPAC name of 3-[2-[2-(ethylamino)phenyl]-2-hydroxyethyl]-5-methylphenol (CID 70632621) is 3-[2-[2-(ethylamino)phenyl]-2-hydroxyethyl]-5-methylphenol.
What is the SMILES notation for 3-[2-[2-(ethylamino)phenyl]-2-hydroxyethyl]-5-methylphenol?
The canonical SMILES for 3-[2-[2-(ethylamino)phenyl]-2-hydroxyethyl]-5-methylphenol is CCNc1ccccc1C(O)Cc1cc(C)cc(O)c1.
What is the InChIKey of 3-[2-[2-(ethylamino)phenyl]-2-hydroxyethyl]-5-methylphenol?
The InChIKey is HFFBUBNKKOZJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-3-18-16-7-5-4-6-15(16)17(20)11-13-8-12(2)9-14(19)10-13/h4-10,17-20H,3,11H2,1-2H3.
What are the key properties of 3-[2-[2-(ethylamino)phenyl]-2-hydroxyethyl]-5-methylphenol?
3-[2-[2-(ethylamino)phenyl]-2-hydroxyethyl]-5-methylphenol has a molecular weight of 271.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(ethylamino)phenyl]-2-hydroxyethyl]-5-methylphenol is sourced from PubChem (CID 70632621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).