5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol

C18H23NO2 — CID 62314441

IUPAC5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
SMILESCOc1ccc(C(C)NCCc2cccc(C)c2)c(O)c1
InChIInChI=1S/C18H23NO2/c1-13-5-4-6-15(11-13)9-10-19-14(2)17-8-7-16(21-3)12-18(17)20/h4-8,11-12,14,19-20H,9-10H2,1-3H3
InChIKeyRUPGHRNFPLECJY-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.60
Rot. Bonds6

About 5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol

5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol (PubChem CID 62314441) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol.

Molecular Properties

Compound Name5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
PubChem CID62314441
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
SMILESCOc1ccc(C(C)NCCc2cccc(C)c2)c(O)c1
InChIInChI=1S/C18H23NO2/c1-13-5-4-6-15(11-13)9-10-19-14(2)17-8-7-16(21-3)12-18(17)20/h4-8,11-12,14,19-20H,9-10H2,1-3H3
InChIKeyRUPGHRNFPLECJY-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
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-[2-(3-methylphenyl)ethylamino]ethyl]benzene-1,3-diol
CID 62314440
5-fluoro-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol
CID 63068009
5-methoxy-2-[1-(2-pyridin-4-ylethylamino)ethyl]phenol
CID 60903278
1-(2-methoxyphenyl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315352
5-methoxy-2-[1-(2-thiophen-2-ylethylamino)ethyl]phenol
CID 43201413
5-methoxy-2-[1-[2-(1-methylpyrazol-4-yl)ethylamino]ethyl]phenol
CID 80682269
2-[1-(butylamino)ethyl]-5-methoxyphenol
CID 43200995
2-[1-[2-(4-hydroxyphenyl)ethylamino]ethyl]-4-methoxyphenol
CID 61237640
1-(2,5-dimethylfuran-3-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62314080
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
2-[1-(5-hydroxypentylamino)ethyl]-5-methoxyphenol
CID 107303120
2-[1-(4-aminobutylamino)ethyl]-5-methoxyphenol
CID 60893810

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol?
The IUPAC name of 5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol (CID 62314441) is 5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol.
What is the SMILES notation for 5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol?
The canonical SMILES for 5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol is COc1ccc(C(C)NCCc2cccc(C)c2)c(O)c1.
What is the InChIKey of 5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol?
The InChIKey is RUPGHRNFPLECJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-13-5-4-6-15(11-13)9-10-19-14(2)17-8-7-16(21-3)12-18(17)20/h4-8,11-12,14,19-20H,9-10H2,1-3H3.
What are the key properties of 5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol?
5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol has a molecular weight of 285.39 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-[2-(3-methylphenyl)ethylamino]ethyl]phenol is sourced from PubChem (CID 62314441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).