3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine

C17H25NO — CID 65295035

IUPAC3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCc2ccc(C)cc2)C12CCC2
InChIInChI=1S/C17H25NO/c1-3-19-16-11-15(17(16)9-4-10-17)18-12-14-7-5-13(2)6-8-14/h5-8,15-16,18H,3-4,9-12H2,1-2H3
InChIKeyFTCVNJRQBIKUIH-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.43
Rot. Bonds5

About 3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine

3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine (PubChem CID 65295035) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
PubChem CID65295035
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine
SMILESCCOC1CC(NCc2ccc(C)cc2)C12CCC2
InChIInChI=1S/C17H25NO/c1-3-19-16-11-15(17(16)9-4-10-17)18-12-14-7-5-13(2)6-8-14/h5-8,15-16,18H,3-4,9-12H2,1-2H3
InChIKeyFTCVNJRQBIKUIH-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethoxy-N-[(3-methoxyphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65294565
3-ethoxy-N-[(2-ethylphenyl)methyl]spiro[3.3]heptan-1-amine
CID 65294485
N-[(2-chlorophenyl)methyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295569
3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.3]heptan-1-amine
CID 103700293
3-[[[(1S,3S)-3-ethoxyspiro[3.3]heptan-1-yl]amino]methyl]-N-methylbenzenesulfonamide
CID 97336126
3-ethoxy-N-[(2-fluorophenyl)methyl]spiro[3.3]heptan-1-amine
CID 65295573
3-ethoxy-N-[(5-methylfuran-2-yl)methyl]spiro[3.4]octan-1-amine
CID 64865229
3-[[[(1R,3S)-3-ethoxyspiro[3.5]nonan-1-yl]amino]methyl]phenol
CID 95971660
(1S,3R)-3-ethoxy-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]spiro[3.3]heptan-1-amine
CID 99820365
3-ethoxy-N-[(5-ethylthiophen-2-yl)methyl]spiro[3.4]octan-1-amine
CID 103702260
N-(2,4-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295516
3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine
CID 114699252

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine?
The IUPAC name of 3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine (CID 65295035) is 3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine is CCOC1CC(NCc2ccc(C)cc2)C12CCC2.
What is the InChIKey of 3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine?
The InChIKey is FTCVNJRQBIKUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-3-19-16-11-15(17(16)9-4-10-17)18-12-14-7-5-13(2)6-8-14/h5-8,15-16,18H,3-4,9-12H2,1-2H3.
What are the key properties of 3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine?
3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(4-methylphenyl)methyl]spiro[3.3]heptan-1-amine is sourced from PubChem (CID 65295035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).