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

C16H22FNO — CID 65294378

IUPAC3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2cccc(F)c2C)C12CCC2
InChIInChI=1S/C16H22FNO/c1-3-19-15-10-14(16(15)8-5-9-16)18-13-7-4-6-12(17)11(13)2/h4,6-7,14-15,18H,3,5,8-10H2,1-2H3
InChIKeySNHGAAUJCZEYKM-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.89
Rot. Bonds4

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

3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine (PubChem CID 65294378) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine
PubChem CID65294378
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine
SMILESCCOC1CC(Nc2cccc(F)c2C)C12CCC2
InChIInChI=1S/C16H22FNO/c1-3-19-15-10-14(16(15)8-5-9-16)18-13-7-4-6-12(17)11(13)2/h4,6-7,14-15,18H,3,5,8-10H2,1-2H3
InChIKeySNHGAAUJCZEYKM-UHFFFAOYSA-N
XLogP3.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine (CID 65294378) is 3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine is CCOC1CC(Nc2cccc(F)c2C)C12CCC2.
What is the InChIKey of 3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine?
The InChIKey is SNHGAAUJCZEYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-3-19-15-10-14(16(15)8-5-9-16)18-13-7-4-6-12(17)11(13)2/h4,6-7,14-15,18H,3,5,8-10H2,1-2H3.
What are the key properties of 3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine?
3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine has a molecular weight of 263.36 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65294378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).