3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine

C17H24FNO — CID 65295481

IUPAC3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC(C)c2cccc(F)c2)C12CCC2
InChIInChI=1S/C17H24FNO/c1-3-20-16-11-15(17(16)8-5-9-17)19-12(2)13-6-4-7-14(18)10-13/h4,6-7,10,12,15-16,19H,3,5,8-9,11H2,1-2H3
InChIKeyUQVAVPSLHZQSIK-UHFFFAOYSA-N
MW277.38 g/mol
LogP3.82
Rot. Bonds5

About 3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine

3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine (PubChem CID 65295481) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine
PubChem CID65295481
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NC(C)c2cccc(F)c2)C12CCC2
InChIInChI=1S/C17H24FNO/c1-3-20-16-11-15(17(16)8-5-9-17)19-12(2)13-6-4-7-14(18)10-13/h4,6-7,10,12,15-16,19H,3,5,8-9,11H2,1-2H3
InChIKeyUQVAVPSLHZQSIK-UHFFFAOYSA-N
XLogP3.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromophenyl)ethyl]-3-ethoxyspiro[3.4]octan-1-amine
CID 64865194
3-ethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]spiro[3.3]heptan-1-amine
CID 65295588
3-ethoxy-N-(3-propan-2-ylphenyl)spiro[3.3]heptan-1-amine
CID 65295135
N-[(1S)-1-(2-bromophenyl)ethyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 81383561
N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 81382778
(2S)-2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol
CID 103921397
2-[(3-ethoxyspiro[3.4]octan-1-yl)amino]-2-phenylethanol
CID 64863865
N-(3,5-difluorophenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295033
3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine
CID 65167987
N-[1-(3,4-difluorophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65167622
3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine
CID 65170112
3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65294378

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine (CID 65295481) is 3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine is CCOC1CC(NC(C)c2cccc(F)c2)C12CCC2.
What is the InChIKey of 3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine?
The InChIKey is UQVAVPSLHZQSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-3-20-16-11-15(17(16)8-5-9-17)19-12(2)13-6-4-7-14(18)10-13/h4,6-7,10,12,15-16,19H,3,5,8-9,11H2,1-2H3.
What are the key properties of 3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine?
3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine has a molecular weight of 277.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(3-fluorophenyl)ethyl]spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65295481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).