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

C16H23NO — CID 65295229

IUPAC3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2ccccc2C)C12CCC2
InChIInChI=1S/C16H23NO/c1-3-18-15-11-14(16(15)9-6-10-16)17-13-8-5-4-7-12(13)2/h4-5,7-8,14-15,17H,3,6,9-11H2,1-2H3
InChIKeyJVQMJDIJHIJBPA-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.75
Rot. Bonds4

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

3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine (PubChem CID 65295229) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine
PubChem CID65295229
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2ccccc2C)C12CCC2
InChIInChI=1S/C16H23NO/c1-3-18-15-11-14(16(15)9-6-10-16)17-13-8-5-4-7-12(13)2/h4-5,7-8,14-15,17H,3,6,9-11H2,1-2H3
InChIKeyJVQMJDIJHIJBPA-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295132
N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295516
3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine
CID 64864038
3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65294378
3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65294774
N-[2-(difluoromethylsulfanyl)phenyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295421
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
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol
CID 106953950
3-ethoxy-N-(2-prop-2-enylsulfanylphenyl)spiro[3.3]heptan-1-amine
CID 65294128
3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine
CID 65294859
N-(2,5-dichloro-4-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 104726184

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine (CID 65295229) is 3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine is CCOC1CC(Nc2ccccc2C)C12CCC2.
What is the InChIKey of 3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine?
The InChIKey is JVQMJDIJHIJBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-18-15-11-14(16(15)9-6-10-16)17-13-8-5-4-7-12(13)2/h4-5,7-8,14-15,17H,3,6,9-11H2,1-2H3.
What are the key properties of 3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine?
3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine has a molecular weight of 245.37 g/mol, XLogP of 3.75, 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-methylphenyl)spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65295229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).