3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine

C18H27NO — CID 65294859

IUPAC3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2c(C)cc(C)cc2C)C12CCC2
InChIInChI=1S/C18H27NO/c1-5-20-16-11-15(18(16)7-6-8-18)19-17-13(3)9-12(2)10-14(17)4/h9-10,15-16,19H,5-8,11H2,1-4H3
InChIKeyLWCIQHXBDUNYDS-UHFFFAOYSA-N
MW273.42 g/mol
LogP4.37
Rot. Bonds4

About 3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine

3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine (PubChem CID 65294859) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine
PubChem CID65294859
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2c(C)cc(C)cc2C)C12CCC2
InChIInChI=1S/C18H27NO/c1-5-20-16-11-15(18(16)7-6-8-18)19-17-13(3)9-12(2)10-14(17)4/h9-10,15-16,19H,5-8,11H2,1-4H3
InChIKeyLWCIQHXBDUNYDS-UHFFFAOYSA-N
XLogP4.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294226
N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295516
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-(3-ethoxyspiro[3.3]heptan-1-yl)-5-methylpyridin-3-amine
CID 103932375
N-(4-bromo-3,5-dimethylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 107572197
N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186
N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295033
N-(2,3-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295132
3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65294774
N-(2,5-dichloro-4-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 104726184
3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine
CID 64862895

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine (CID 65294859) is 3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine is CCOC1CC(Nc2c(C)cc(C)cc2C)C12CCC2.
What is the InChIKey of 3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine?
The InChIKey is LWCIQHXBDUNYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-5-20-16-11-15(18(16)7-6-8-18)19-17-13(3)9-12(2)10-14(17)4/h9-10,15-16,19H,5-8,11H2,1-4H3.
What are the key properties of 3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine?
3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65294859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).