2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol

C18H23NO2 — CID 43202107

IUPAC2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol
SMILESCOc1ccccc1C(C)NC(C)c1ccc(C)cc1O
InChIInChI=1S/C18H23NO2/c1-12-9-10-15(17(20)11-12)13(2)19-14(3)16-7-5-6-8-18(16)21-4/h5-11,13-14,19-20H,1-4H3
InChIKeyWHZOUPIEPGUPRN-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.12
Rot. Bonds5

About 2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol

2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol (PubChem CID 43202107) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol.

Molecular Properties

Compound Name2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol
PubChem CID43202107
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol
SMILESCOc1ccccc1C(C)NC(C)c1ccc(C)cc1O
InChIInChI=1S/C18H23NO2/c1-12-9-10-15(17(20)11-12)13(2)19-14(3)16-7-5-6-8-18(16)21-4/h5-11,13-14,19-20H,1-4H3
InChIKeyWHZOUPIEPGUPRN-UHFFFAOYSA-N
XLogP4.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.12
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

4-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]benzene-1,3-diol
CID 43202083
2-[1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]ethyl]-5-methylphenol
CID 81377013
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
(1R)-N-[1-(2-methoxyphenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81373592
methyl 2-[1-(2-hydroxy-4-methylphenyl)ethylamino]propanoate
CID 60780541
(1S)-1-(2-chlorophenyl)-N-[1-(2-methoxy-5-methylphenyl)ethyl]ethanamine
CID 81374122
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
methyl (2S)-2-[1-(2-hydroxy-4-methylphenyl)ethylamino]-3-methylbutanoate
CID 43452085
1-(2-methoxy-4-methylphenyl)-N-[(1S)-1-pyridin-2-ylethyl]ethanamine
CID 81401623
2-[1-(3,3-dimethylbutan-2-ylamino)ethyl]-5-methylphenol
CID 104582413
N-[1-(2-methoxy-4-methylphenyl)ethyl]-3-methylbutan-2-amine
CID 43773913
2-methoxy-N-[1-(2-methoxy-4-methylphenyl)ethyl]aniline
CID 43757835

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol?
The IUPAC name of 2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol (CID 43202107) is 2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol.
What is the SMILES notation for 2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol?
The canonical SMILES for 2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol is COc1ccccc1C(C)NC(C)c1ccc(C)cc1O.
What is the InChIKey of 2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol?
The InChIKey is WHZOUPIEPGUPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-12-9-10-15(17(20)11-12)13(2)19-14(3)16-7-5-6-8-18(16)21-4/h5-11,13-14,19-20H,1-4H3.
What are the key properties of 2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol?
2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol has a molecular weight of 285.39 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(2-methoxyphenyl)ethylamino]ethyl]-5-methylphenol is sourced from PubChem (CID 43202107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).