3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol

C17H25NO2 — CID 65167993

IUPAC3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol
SMILESCCOC1CC(Nc2cccc(O)c2)C12CCCCC2
InChIInChI=1S/C17H25NO2/c1-2-20-16-12-15(17(16)9-4-3-5-10-17)18-13-7-6-8-14(19)11-13/h6-8,11,15-16,18-19H,2-5,9-10,12H2,1H3
InChIKeyOMHVEVWTFALCJE-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.93
Rot. Bonds4

About 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol

3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol (PubChem CID 65167993) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol.

Molecular Properties

Compound Name3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol
PubChem CID65167993
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol
SMILESCCOC1CC(Nc2cccc(O)c2)C12CCCCC2
InChIInChI=1S/C17H25NO2/c1-2-20-16-12-15(17(16)9-4-3-5-10-17)18-13-7-6-8-14(19)11-13/h6-8,11,15-16,18-19H,2-5,9-10,12H2,1H3
InChIKeyOMHVEVWTFALCJE-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-N-(3-iodophenyl)spiro[3.4]octan-1-amine
CID 64864037
3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol
CID 95971660
3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65294372
3-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]benzoic acid
CID 65295482
3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine
CID 65295135
N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186
N-(3-ethoxyspiro[3.5]nonan-1-yl)pyridin-3-amine
CID 65170359
N-(3-ethoxyspiro[3.5]nonan-1-yl)thiophen-3-amine
CID 66352329
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463
2,6-dichloro-4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]phenol
CID 107679311
N-(4-bromo-3,5-dimethylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 107572197
N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295033

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol?
The IUPAC name of 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol (CID 65167993) is 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol.
What is the SMILES notation for 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol?
The canonical SMILES for 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol is CCOC1CC(Nc2cccc(O)c2)C12CCCCC2.
What is the InChIKey of 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol?
The InChIKey is OMHVEVWTFALCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-2-20-16-12-15(17(16)9-4-3-5-10-17)18-13-7-6-8-14(19)11-13/h6-8,11,15-16,18-19H,2-5,9-10,12H2,1H3.
What are the key properties of 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol?
3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol has a molecular weight of 275.39 g/mol, XLogP of 3.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]phenol is sourced from PubChem (CID 65167993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).