2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol

C18H23NO2 — CID 82957371

IUPAC2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol
SMILESCCc1ccc(N(C)C(C)c2ccc(OC)cc2O)cc1
InChIInChI=1S/C18H23NO2/c1-5-14-6-8-15(9-7-14)19(3)13(2)17-11-10-16(21-4)12-18(17)20/h6-13,20H,5H2,1-4H3
InChIKeyONIIZXZFECQGKE-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.16
Rot. Bonds5

About 2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol

2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol (PubChem CID 82957371) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol.

Molecular Properties

Compound Name2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol
PubChem CID82957371
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol
SMILESCCc1ccc(N(C)C(C)c2ccc(OC)cc2O)cc1
InChIInChI=1S/C18H23NO2/c1-5-14-6-8-15(9-7-14)19(3)13(2)17-11-10-16(21-4)12-18(17)20/h6-13,20H,5H2,1-4H3
InChIKeyONIIZXZFECQGKE-UHFFFAOYSA-N
XLogP4.16
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-[1-(4-methoxy-N-methylanilino)ethyl]phenol
CID 82978158
5-methoxy-2-[1-[methyl(pentan-3-yl)amino]ethyl]phenol
CID 82976674
5-methoxy-2-[1-[methyl(2,2,2-trifluoroethyl)amino]ethyl]phenol
CID 82982095
N-(4-ethylphenyl)-2-hydroxy-4-methoxy-N-methylbenzamide
CID 62003405
5-methoxy-2-[1-[3-methoxypropyl(methyl)amino]ethyl]phenol
CID 82980149
2-[1-(3-methoxy-N-methylanilino)ethyl]phenol
CID 82982610
2-[2-amino-1-(N-methylanilino)ethyl]-5-methoxyphenol
CID 82043143
5-methoxy-2-[1-[methyl-(4-methylcyclohexyl)amino]ethyl]phenol
CID 82986264
5-methoxy-2-[1-[(4-methoxyphenyl)methylamino]ethyl]phenol
CID 43201039
5-methoxy-2-[1-[propyl(2,2,2-trifluoroethyl)amino]ethyl]phenol
CID 82982580
5-methoxy-2-[1-[methyl-(1-methylpiperidin-3-yl)amino]ethyl]phenol
CID 82979480
2-methoxy-4-[1-(4-methoxy-N-methylanilino)ethyl]phenol
CID 82957710

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol?
The IUPAC name of 2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol (CID 82957371) is 2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol.
What is the SMILES notation for 2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol?
The canonical SMILES for 2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol is CCc1ccc(N(C)C(C)c2ccc(OC)cc2O)cc1.
What is the InChIKey of 2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol?
The InChIKey is ONIIZXZFECQGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-14-6-8-15(9-7-14)19(3)13(2)17-11-10-16(21-4)12-18(17)20/h6-13,20H,5H2,1-4H3.
What are the key properties of 2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol?
2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol has a molecular weight of 285.39 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-ethyl-N-methylanilino)ethyl]-5-methoxyphenol is sourced from PubChem (CID 82957371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).