2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol

C18H23NO2 — CID 64682826

IUPAC2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol
SMILESCCc1ccccc1CNC(C)c1ccc(OC)cc1O
InChIInChI=1S/C18H23NO2/c1-4-14-7-5-6-8-15(14)12-19-13(2)17-10-9-16(21-3)11-18(17)20/h5-11,13,19-20H,4,12H2,1-3H3
InChIKeyPCPPFOMLXFLHTK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.81
Rot. Bonds6

About 2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol

2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol (PubChem CID 64682826) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol
PubChem CID64682826
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol
SMILESCCc1ccccc1CNC(C)c1ccc(OC)cc1O
InChIInChI=1S/C18H23NO2/c1-4-14-7-5-6-8-15(14)12-19-13(2)17-10-9-16(21-3)11-18(17)20/h5-11,13,19-20H,4,12H2,1-3H3
InChIKeyPCPPFOMLXFLHTK-UHFFFAOYSA-N
XLogP3.81
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol
CID 64682615
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
4-[1-[(2-hydroxyphenyl)methylamino]ethyl]benzene-1,3-diol
CID 114331579
2-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-5-methoxyphenol
CID 81379403
2-[1-[(2-hydroxyphenyl)methylamino]ethyl]-5-methylphenol
CID 104582169
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
2-[1-[[(2S)-2-hydroxypropyl]amino]ethyl]-5-methoxyphenol
CID 104583670
2-[1-(2-hydroxy-4-methoxyphenyl)ethylamino]acetamide
CID 43200366
2-[1-[(4,5-dimethylthiophen-2-yl)methylamino]ethyl]-5-methoxyphenol
CID 65246248
2-[1-(2-chloroprop-2-enylamino)ethyl]-5-methoxyphenol
CID 104583240
4-[[1-(2-methoxyphenyl)ethylamino]methyl]benzene-1,3-diol
CID 43202064
5-methoxy-2-[1-(2,3,3-trimethylbutylamino)ethyl]phenol
CID 83141611

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol (CID 64682826) is 2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol is CCc1ccccc1CNC(C)c1ccc(OC)cc1O.
What is the InChIKey of 2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol?
The InChIKey is PCPPFOMLXFLHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-14-7-5-6-8-15(14)12-19-13(2)17-10-9-16(21-3)11-18(17)20/h5-11,13,19-20H,4,12H2,1-3H3.
What are the key properties of 2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol?
2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol has a molecular weight of 285.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-ethylphenyl)methylamino]ethyl]-5-methoxyphenol is sourced from PubChem (CID 64682826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).