3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine

C17H25NO2 — CID 65294565

IUPAC3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCc2cccc(OC)c2)C12CCC2
InChIInChI=1S/C17H25NO2/c1-3-20-16-11-15(17(16)8-5-9-17)18-12-13-6-4-7-14(10-13)19-2/h4,6-7,10,15-16,18H,3,5,8-9,11-12H2,1-2H3
InChIKeyGRSFFNWIRCXCHX-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.13
Rot. Bonds6

About 3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine

3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine (PubChem CID 65294565) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine
PubChem CID65294565
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCc2cccc(OC)c2)C12CCC2
InChIInChI=1S/C17H25NO2/c1-3-20-16-11-15(17(16)8-5-9-17)18-12-13-6-4-7-14(10-13)19-2/h4,6-7,10,15-16,18H,3,5,8-9,11-12H2,1-2H3
InChIKeyGRSFFNWIRCXCHX-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol
CID 95971660
3-[[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]methyl]-N-methylbenzenesulfonamide
CID 97336126
3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295035
3-ethoxy-N-(4-methoxyphenyl)spiro[3.3]heptan-1-amine
CID 65295180
3-ethoxy-N-(3-ethoxyphenyl)spiro[3.3]heptan-1-amine
CID 65294372
3-ethoxy-N-(4-methoxy-2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65294774
3-ethoxy-N-[(2-fluorophenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295573
3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine
CID 65294383
1-[(1R,3S)-3-ethoxyspiro[3.3]heptan-1-yl]-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 95934147
(1R,3S)-3-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-7-oxaspiro[3.5]nonan-1-amine
CID 124618606
1-(3-ethoxyspiro[3.3]heptan-1-yl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 71925656
3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.3]heptan-1-amine
CID 103700293

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine (CID 65294565) is 3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine is CCOC1CC(NCc2cccc(OC)c2)C12CCC2.
What is the InChIKey of 3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine?
The InChIKey is GRSFFNWIRCXCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-20-16-11-15(17(16)8-5-9-17)18-12-13-6-4-7-14(10-13)19-2/h4,6-7,10,15-16,18H,3,5,8-9,11-12H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine?
3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine has a molecular weight of 275.39 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65294565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).