3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine

C17H25NO2 — CID 65294774

IUPAC3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2ccc(OC)cc2C)C12CCC2
InChIInChI=1S/C17H25NO2/c1-4-20-16-11-15(17(16)8-5-9-17)18-14-7-6-13(19-3)10-12(14)2/h6-7,10,15-16,18H,4-5,8-9,11H2,1-3H3
InChIKeyQHICNBXOZVZZAF-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.76
Rot. Bonds5

About 3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine

3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine (PubChem CID 65294774) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine
PubChem CID65294774
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2ccc(OC)cc2C)C12CCC2
InChIInChI=1S/C17H25NO2/c1-4-20-16-11-15(17(16)8-5-9-17)18-14-7-6-13(19-3)10-12(14)2/h6-7,10,15-16,18H,4-5,8-9,11H2,1-3H3
InChIKeyQHICNBXOZVZZAF-UHFFFAOYSA-N
XLogP3.76
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295516
N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864030
3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295180
3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65295229
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol
CID 106953950
N-(2,3-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295132
3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine
CID 65294859
3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65294565
3-ethoxy-N-(4-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295079
N-(4-bromo-2,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 107609814
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

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine (CID 65294774) is 3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine is CCOC1CC(Nc2ccc(OC)cc2C)C12CCC2.
What is the InChIKey of 3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine?
The InChIKey is QHICNBXOZVZZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-20-16-11-15(17(16)8-5-9-17)18-14-7-6-13(19-3)10-12(14)2/h6-7,10,15-16,18H,4-5,8-9,11H2,1-3H3.
What are the key properties of 3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine?
3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65294774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).