2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol

C15H21Cl2NO2 — CID 107679223

IUPAC2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol
SMILESCCOC1CC(Nc2cc(Cl)c(O)c(Cl)c2)C1(C)CC
InChIInChI=1S/C15H21Cl2NO2/c1-4-15(3)12(8-13(15)20-5-2)18-9-6-10(16)14(19)11(17)7-9/h6-7,12-13,18-19H,4-5,8H2,1-3H3
InChIKeyIYBDYVVEMDSONQ-UHFFFAOYSA-N
MW318.24 g/mol
LogP4.70
Rot. Bonds5

About 2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol

2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol (PubChem CID 107679223) has the molecular formula C15H21Cl2NO2 and a molecular weight of 318.24 g/mol. Its IUPAC name is 2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol
PubChem CID107679223
Molecular FormulaC15H21Cl2NO2
Molecular Weight318.24 g/mol
Exact Mass317.09
IUPAC Name2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol
SMILESCCOC1CC(Nc2cc(Cl)c(O)c(Cl)c2)C1(C)CC
InChIInChI=1S/C15H21Cl2NO2/c1-4-15(3)12(8-13(15)20-5-2)18-9-6-10(16)14(19)11(17)7-9/h6-7,12-13,18-19H,4-5,8H2,1-3H3
InChIKeyIYBDYVVEMDSONQ-UHFFFAOYSA-N
XLogP4.70
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol
CID 107679311
2,6-dichloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)aniline
CID 65467782
2-chloro-4-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]phenol
CID 107678106
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline
CID 65170411
4-chloro-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-2-methylaniline
CID 65167941
3-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]benzamide
CID 65167560
1-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376095
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)hydroxylamine
CID 82685490
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-3-ethynylaniline
CID 65170013
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine
CID 116812956
[3-[[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]methyl]phenyl]methanol
CID 107229736
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpropyl)cyclobutan-1-amine
CID 65170309

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol?
The IUPAC name of 2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol (CID 107679223) is 2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol?
The canonical SMILES for 2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol is CCOC1CC(Nc2cc(Cl)c(O)c(Cl)c2)C1(C)CC.
What is the InChIKey of 2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol?
The InChIKey is IYBDYVVEMDSONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO2/c1-4-15(3)12(8-13(15)20-5-2)18-9-6-10(16)14(19)11(17)7-9/h6-7,12-13,18-19H,4-5,8H2,1-3H3.
What are the key properties of 2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol?
2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol has a molecular weight of 318.24 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol is sourced from PubChem (CID 107679223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).