4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol

C17H25NO2 — CID 106953950

IUPAC4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol
SMILESCCOC1CC(Nc2cc(C)c(O)cc2C)C12CCC2
InChIInChI=1S/C17H25NO2/c1-4-20-16-10-15(17(16)6-5-7-17)18-13-8-12(3)14(19)9-11(13)2/h8-9,15-16,18-19H,4-7,10H2,1-3H3
InChIKeyNHGUBHJTNWQDDV-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.77
Rot. Bonds4

About 4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol

4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol (PubChem CID 106953950) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol
PubChem CID106953950
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol
SMILESCCOC1CC(Nc2cc(C)c(O)cc2C)C12CCC2
InChIInChI=1S/C17H25NO2/c1-4-20-16-10-15(17(16)6-5-7-17)18-13-8-12(3)14(19)9-11(13)2/h8-9,15-16,18-19H,4-7,10H2,1-3H3
InChIKeyNHGUBHJTNWQDDV-UHFFFAOYSA-N
XLogP3.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.77
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

N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295516
3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65294774
3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65295229
3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine
CID 64862895
N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864030
3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine
CID 65294859
N-(2,3-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295132
N-(2,5-dichloro-4-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 104726184
N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294226
2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol
CID 107679311
N-(4-bromo-2,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 107609814
N-(4-bromo-3,5-dimethylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 107572197

Frequently Asked Questions

What is the IUPAC name of 4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol?
The IUPAC name of 4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol (CID 106953950) is 4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol.
What is the SMILES notation for 4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol?
The canonical SMILES for 4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol is CCOC1CC(Nc2cc(C)c(O)cc2C)C12CCC2.
What is the InChIKey of 4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol?
The InChIKey is NHGUBHJTNWQDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-20-16-10-15(17(16)6-5-7-17)18-13-8-12(3)14(19)9-11(13)2/h8-9,15-16,18-19H,4-7,10H2,1-3H3.
What are the key properties of 4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol?
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol has a molecular weight of 275.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol is sourced from PubChem (CID 106953950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).