N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine

C17H25NO — CID 65295516

IUPACN-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2ccc(C)cc2C)C12CCC2
InChIInChI=1S/C17H25NO/c1-4-19-16-11-15(17(16)8-5-9-17)18-14-7-6-12(2)10-13(14)3/h6-7,10,15-16,18H,4-5,8-9,11H2,1-3H3
InChIKeyXFPJXNBAMMNRCG-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.06
Rot. Bonds4

About N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine

N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine (PubChem CID 65295516) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
PubChem CID65295516
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2ccc(C)cc2C)C12CCC2
InChIInChI=1S/C17H25NO/c1-4-19-16-11-15(17(16)8-5-9-17)18-14-7-6-12(2)10-13(14)3/h6-7,10,15-16,18H,4-5,8-9,11H2,1-3H3
InChIKeyXFPJXNBAMMNRCG-UHFFFAOYSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65294774
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-methylphenyl)spiro[3.3]heptan-1-amine
CID 65295229
3-ethoxy-N-(2,4,6-trimethylphenyl)spiro[3.3]heptan-1-amine
CID 65294859
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
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
N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167719
3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65294378
3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295035

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The IUPAC name of N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine (CID 65295516) is N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine.
What is the SMILES notation for N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The canonical SMILES for N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine is CCOC1CC(Nc2ccc(C)cc2C)C12CCC2.
What is the InChIKey of N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine?
The InChIKey is XFPJXNBAMMNRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-19-16-11-15(17(16)8-5-9-17)18-14-7-6-12(2)10-13(14)3/h6-7,10,15-16,18H,4-5,8-9,11H2,1-3H3.
What are the key properties of N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine?
N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine is sourced from PubChem (CID 65295516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).