3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine

C17H24FNO — CID 64862895

IUPAC3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(Nc2ccc(F)cc2C)C12CCCC2
InChIInChI=1S/C17H24FNO/c1-3-20-16-11-15(17(16)8-4-5-9-17)19-14-7-6-13(18)10-12(14)2/h6-7,10,15-16,19H,3-5,8-9,11H2,1-2H3
InChIKeyMSTUKKHSNBFJEU-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.28
Rot. Bonds4

About 3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine

3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine (PubChem CID 64862895) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine
PubChem CID64862895
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(Nc2ccc(F)cc2C)C12CCCC2
InChIInChI=1S/C17H24FNO/c1-3-20-16-11-15(17(16)8-4-5-9-17)19-14-7-6-13(18)10-12(14)2/h6-7,10,15-16,19H,3-5,8-9,11H2,1-2H3
InChIKeyMSTUKKHSNBFJEU-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-4-fluorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167662
N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864030
N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295516
3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65294774
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-fluoro-2-methylaniline
CID 65168180
3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65295229
N-(2,5-dichloro-4-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 104726184
4-[(3-ethoxyspiro[3.3]heptan-1-yl)amino]-2,5-dimethylphenol
CID 106953950
3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65294378
N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167719
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

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine (CID 64862895) is 3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine is CCOC1CC(Nc2ccc(F)cc2C)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine?
The InChIKey is MSTUKKHSNBFJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-3-20-16-11-15(17(16)8-4-5-9-17)19-14-7-6-13(18)10-12(14)2/h6-7,10,15-16,19H,3-5,8-9,11H2,1-2H3.
What are the key properties of 3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine?
3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine has a molecular weight of 277.38 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine is sourced from PubChem (CID 64862895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).