3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine

C18H27NO — CID 65294485

IUPAC3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCc2ccccc2CC)C12CCC2
InChIInChI=1S/C18H27NO/c1-3-14-8-5-6-9-15(14)13-19-16-12-17(20-4-2)18(16)10-7-11-18/h5-6,8-9,16-17,19H,3-4,7,10-13H2,1-2H3
InChIKeyZPLYNJULCPCTMZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.69
Rot. Bonds6

About 3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine

3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine (PubChem CID 65294485) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is 3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine
PubChem CID65294485
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCc2ccccc2CC)C12CCC2
InChIInChI=1S/C18H27NO/c1-3-14-8-5-6-9-15(14)13-19-16-12-17(20-4-2)18(16)10-7-11-18/h5-6,8-9,16-17,19H,3-4,7,10-13H2,1-2H3
InChIKeyZPLYNJULCPCTMZ-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295569
3-ethoxy-N-[(2-fluorophenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295573
3-ethoxy-N-[(3-ethyl-2-pyridinyl)methyl]spiro[3.4]octan-1-amine
CID 82732874
3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.3]heptan-1-amine
CID 103700293
3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295035
N-[(5-bromo-2-fluorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 65294569
3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine
CID 103702260
3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65294565
3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine
CID 114699252
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 112705354
N-(1,3-benzothiazol-2-ylmethyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295134
3-ethoxy-N-(3-phenoxypropyl)spiro[3.3]heptan-1-amine
CID 65294383

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine (CID 65294485) is 3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine is CCOC1CC(NCc2ccccc2CC)C12CCC2.
What is the InChIKey of 3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine?
The InChIKey is ZPLYNJULCPCTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO/c1-3-14-8-5-6-9-15(14)13-19-16-12-17(20-4-2)18(16)10-7-11-18/h5-6,8-9,16-17,19H,3-4,7,10-13H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine?
3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine has a molecular weight of 273.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65294485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).