2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol

C18H23NO2 — CID 102848911

IUPAC2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol
SMILESCOCCc1ccccc1NC(C)c1ccc(C)cc1O
InChIInChI=1S/C18H23NO2/c1-13-8-9-16(18(20)12-13)14(2)19-17-7-5-4-6-15(17)10-11-21-3/h4-9,12,14,19-20H,10-11H2,1-3H3
InChIKeyLGJHSMLODGDTSE-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.06
Rot. Bonds6

About 2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol

2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol (PubChem CID 102848911) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol
PubChem CID102848911
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol
SMILESCOCCc1ccccc1NC(C)c1ccc(C)cc1O
InChIInChI=1S/C18H23NO2/c1-13-8-9-16(18(20)12-13)14(2)19-17-7-5-4-6-15(17)10-11-21-3/h4-9,12,14,19-20H,10-11H2,1-3H3
InChIKeyLGJHSMLODGDTSE-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
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-(2-methoxyethyl)anilino]ethyl]benzene-1,4-diol
CID 102903701
4-[1-[2-(2-methoxyethyl)anilino]ethyl]phenol
CID 102903882
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
CID 102849008
2-(2-methoxyethyl)-N-propan-2-ylaniline
CID 102847364
5-methyl-2-[1-[(2-methyl-3-pyridinyl)amino]ethyl]phenol
CID 79042446
2-[1-[(2-hydroxyphenyl)methylamino]ethyl]-5-methylphenol
CID 104582169
2-[1-(3-methoxypropylamino)ethyl]-5-methylphenol
CID 43205159
4-[1-(2-ethylanilino)ethyl]benzene-1,3-diol
CID 43195633
N-[1-(5-bromofuran-2-yl)ethyl]-2-(2-methoxyethyl)aniline
CID 102903779
N-(4-methoxybutan-2-yl)-2-(2-methoxyethyl)aniline
CID 102849074
2-(2-methoxyethyl)-N-[1-(3-methylthiophen-2-yl)ethyl]aniline
CID 102848964
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2-(2-methoxyethyl)aniline
CID 102848913

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol?
The IUPAC name of 2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol (CID 102848911) is 2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol is COCCc1ccccc1NC(C)c1ccc(C)cc1O.
What is the InChIKey of 2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol?
The InChIKey is LGJHSMLODGDTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-8-9-16(18(20)12-13)14(2)19-17-7-5-4-6-15(17)10-11-21-3/h4-9,12,14,19-20H,10-11H2,1-3H3.
What are the key properties of 2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol?
2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol has a molecular weight of 285.39 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-methoxyethyl)anilino]ethyl]-5-methylphenol is sourced from PubChem (CID 102848911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).