2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol

C18H23NO2 — CID 64682615

IUPAC2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol
SMILESCCc1ccccc1CNC(C)c1cc(OC)ccc1O
InChIInChI=1S/C18H23NO2/c1-4-14-7-5-6-8-15(14)12-19-13(2)17-11-16(21-3)9-10-18(17)20/h5-11,13,19-20H,4,12H2,1-3H3
InChIKeyCTZZIGWIJUKESY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.81
Rot. Bonds6

About 2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol

2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol (PubChem CID 64682615) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol.

Molecular Properties

Compound Name2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol
PubChem CID64682615
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol
SMILESCCc1ccccc1CNC(C)c1cc(OC)ccc1O
InChIInChI=1S/C18H23NO2/c1-4-14-7-5-6-8-15(14)12-19-13(2)17-11-16(21-3)9-10-18(17)20/h5-11,13,19-20H,4,12H2,1-3H3
InChIKeyCTZZIGWIJUKESY-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]-5-methoxyphenol
CID 64682826
2-[1-[(2,5-difluorophenyl)methylamino]ethyl]-4-methoxyphenol
CID 63795320
N-(2-ethylphenyl)-N'-[(1S)-1-(2-hydroxy-5-methoxyphenyl)ethyl]oxamide
CID 95316895
2-[1-(2-ethylsulfonylethylamino)ethyl]-4-methoxyphenol
CID 104582220
ethyl 2-[1-(2-hydroxy-5-methoxyphenyl)ethylamino]acetate
CID 54921188
2-[[[(1R)-1-(2-bromophenyl)ethyl]amino]methyl]-5-methoxyphenol
CID 81379403
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507
2-[1-(but-2-ynylamino)ethyl]-4-methoxyphenol
CID 115900748
2-[1-(2,2-diethoxyethylamino)ethyl]-4-methoxyphenol
CID 79548207
4-methoxy-2-[1-[(3-methyl-2-pyridinyl)methylamino]ethyl]phenol
CID 63305945
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
2-[1-[2-(dimethylamino)ethylamino]ethyl]-4-methoxyphenol
CID 16775145

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol?
The IUPAC name of 2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol (CID 64682615) is 2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol.
What is the SMILES notation for 2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol?
The canonical SMILES for 2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol is CCc1ccccc1CNC(C)c1cc(OC)ccc1O.
What is the InChIKey of 2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol?
The InChIKey is CTZZIGWIJUKESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-4-14-7-5-6-8-15(14)12-19-13(2)17-11-16(21-3)9-10-18(17)20/h5-11,13,19-20H,4,12H2,1-3H3.
What are the key properties of 2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-methoxyphenol?
2-[1-[(2-ethylphenyl)methylamino]ethyl]-4-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]-4-methoxyphenol is sourced from PubChem (CID 64682615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).