3-(N-ethylanilino)-2-methylphenol

C15H17NO — CID 68824539

IUPAC3-(N-ethylanilino)-2-methylphenol
SMILESCCN(c1ccccc1)c1cccc(O)c1C
InChIInChI=1S/C15H17NO/c1-3-16(13-8-5-4-6-9-13)14-10-7-11-15(17)12(14)2/h4-11,17H,3H2,1-2H3
InChIKeyGCALFICOTUKITC-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.86
Rot. Bonds3

About 3-(N-ethylanilino)-2-methylphenol

3-(N-ethylanilino)-2-methylphenol (PubChem CID 68824539) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(N-ethylanilino)-2-methylphenol.

Molecular Properties

Compound Name3-(N-ethylanilino)-2-methylphenol
PubChem CID68824539
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name3-(N-ethylanilino)-2-methylphenol
SMILESCCN(c1ccccc1)c1cccc(O)c1C
InChIInChI=1S/C15H17NO/c1-3-16(13-8-5-4-6-9-13)14-10-7-11-15(17)12(14)2/h4-11,17H,3H2,1-2H3
InChIKeyGCALFICOTUKITC-UHFFFAOYSA-N
XLogP3.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-phenylnaphthalen-1-amine;methane
CID 143268632
2-(aminomethyl)-N-ethyl-N-phenylaniline
CID 28600877
3-N-ethyl-2-methyl-3-N-(4-methylphenyl)benzene-1,3-diamine
CID 63062743
3-chloro-1-N-ethyl-1-N-phenylbenzene-1,2-diamine
CID 113458493
3-chloro-2-(chloromethyl)-N-ethyl-N-phenylaniline
CID 28946393
2-ethoxy-N-ethyl-N-phenylaniline
CID 101288968
N-(2,3-dimethylphenyl)-N-ethyl-2,3-dimethylaniline;hydrochloride
CID 174691436
3-[butyl(ethyl)amino]-2-methylphenol
CID 57208066
ethane;N-ethyl-2-methyl-N-(3-methylphenyl)aniline
CID 142266780
N-ethyl-N-phenylnaphtho[1,2-b][1]benzofuran-4-amine
CID 126701340
N-ethyl-2-[1-(ethylamino)ethyl]-N-phenylaniline
CID 43284278
3-[benzyl(2-hydroxyethyl)amino]-2-methylphenol
CID 141277151

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethylanilino)-2-methylphenol?
The IUPAC name of 3-(N-ethylanilino)-2-methylphenol (CID 68824539) is 3-(N-ethylanilino)-2-methylphenol.
What is the SMILES notation for 3-(N-ethylanilino)-2-methylphenol?
The canonical SMILES for 3-(N-ethylanilino)-2-methylphenol is CCN(c1ccccc1)c1cccc(O)c1C.
What is the InChIKey of 3-(N-ethylanilino)-2-methylphenol?
The InChIKey is GCALFICOTUKITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-3-16(13-8-5-4-6-9-13)14-10-7-11-15(17)12(14)2/h4-11,17H,3H2,1-2H3.
What are the key properties of 3-(N-ethylanilino)-2-methylphenol?
3-(N-ethylanilino)-2-methylphenol has a molecular weight of 227.31 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethylanilino)-2-methylphenol is sourced from PubChem (CID 68824539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).