2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol

C15H19Cl2NO2 — CID 107679311

IUPAC2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol
SMILESCCOC1CC(Nc2cc(Cl)c(O)c(Cl)c2)C12CCC2
InChIInChI=1S/C15H19Cl2NO2/c1-2-20-13-8-12(15(13)4-3-5-15)18-9-6-10(16)14(19)11(17)7-9/h6-7,12-13,18-19H,2-5,8H2,1H3
InChIKeyYCNIXZYETOELRC-UHFFFAOYSA-N
MW316.23 g/mol
LogP4.46
Rot. Bonds4

About 2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol

2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol (PubChem CID 107679311) has the molecular formula C15H19Cl2NO2 and a molecular weight of 316.23 g/mol. Its IUPAC name is 2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol
PubChem CID107679311
Molecular FormulaC15H19Cl2NO2
Molecular Weight316.23 g/mol
Exact Mass315.08
IUPAC Name2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol
SMILESCCOC1CC(Nc2cc(Cl)c(O)c(Cl)c2)C12CCC2
InChIInChI=1S/C15H19Cl2NO2/c1-2-20-13-8-12(15(13)4-3-5-15)18-9-6-10(16)14(19)11(17)7-9/h6-7,12-13,18-19H,2-5,8H2,1H3
InChIKeyYCNIXZYETOELRC-UHFFFAOYSA-N
XLogP4.46
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 54.46
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-ethoxy-2-ethyl-2-methylcyclobutyl)amino]phenol
CID 107679223
N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295033
N-(4-chloro-3-fluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295443
N-(4-bromo-3,5-dimethylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 107572197
3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol
CID 65167993
N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186
3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine
CID 65295135
3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295079
3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295180
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295433
N-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine
CID 103932375
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol
CID 106953950

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol?
The IUPAC name of 2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol (CID 107679311) is 2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol?
The canonical SMILES for 2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol is CCOC1CC(Nc2cc(Cl)c(O)c(Cl)c2)C12CCC2.
What is the InChIKey of 2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol?
The InChIKey is YCNIXZYETOELRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2/c1-2-20-13-8-12(15(13)4-3-5-15)18-9-6-10(16)14(19)11(17)7-9/h6-7,12-13,18-19H,2-5,8H2,1H3.
What are the key properties of 2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol?
2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol has a molecular weight of 316.23 g/mol, XLogP of 4.46, 4 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-ethoxyspiro[3.3]heptan-1-yl)amino]phenol is sourced from PubChem (CID 107679311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).