3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine

C16H22INO — CID 64864038

IUPAC3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(Nc2ccccc2I)C12CCCC2
InChIInChI=1S/C16H22INO/c1-2-19-15-11-14(16(15)9-5-6-10-16)18-13-8-4-3-7-12(13)17/h3-4,7-8,14-15,18H,2,5-6,9-11H2,1H3
InChIKeyPXJNIHNREJYNER-UHFFFAOYSA-N
MW371.26 g/mol
LogP4.44
Rot. Bonds4

About 3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine

3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine (PubChem CID 64864038) has the molecular formula C16H22INO and a molecular weight of 371.26 g/mol. Its IUPAC name is 3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine
PubChem CID64864038
Molecular FormulaC16H22INO
Molecular Weight371.26 g/mol
Exact Mass371.07
IUPAC Name3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine
SMILESCCOC1CC(Nc2ccccc2I)C12CCCC2
InChIInChI=1S/C16H22INO/c1-2-19-15-11-14(16(15)9-5-6-10-16)18-13-8-4-3-7-12(13)17/h3-4,7-8,14-15,18H,2,5-6,9-11H2,1H3
InChIKeyPXJNIHNREJYNER-UHFFFAOYSA-N
XLogP4.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-N-(2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65295229
N-(2,3-dimethylphenyl)-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295132
3-ethoxy-N-(3-iodophenyl)spiro[3.4]octan-1-amine
CID 64864037
N-(2-bromo-3-chlorophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 103478585
N-[2-(difluoromethylsulfanyl)phenyl]-3-ethoxyspiro[3.3]heptan-1-amine
CID 65295421
3-ethoxy-N-(3-fluoro-2-methylphenyl)spiro[3.3]heptan-1-amine
CID 65294378
N-(2,6-dichlorophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 65468186
3-ethoxy-N-(2-prop-2-enylsulfanylphenyl)spiro[3.3]heptan-1-amine
CID 65294128
N-(2,4-dibromophenyl)-3-ethoxyspiro[3.5]nonan-1-amine
CID 65167719
3-ethoxy-N-(4-fluoro-2-methylphenyl)spiro[3.4]octan-1-amine
CID 64862895
N-(4-chloro-2-methylphenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64864030
N-(4-bromophenyl)-3-ethoxyspiro[3.4]octan-1-amine
CID 64863463

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine?
The IUPAC name of 3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine (CID 64864038) is 3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine is CCOC1CC(Nc2ccccc2I)C12CCCC2.
What is the InChIKey of 3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine?
The InChIKey is PXJNIHNREJYNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22INO/c1-2-19-15-11-14(16(15)9-5-6-10-16)18-13-8-4-3-7-12(13)17/h3-4,7-8,14-15,18H,2,5-6,9-11H2,1H3.
What are the key properties of 3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine?
3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine has a molecular weight of 371.26 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(2-iodophenyl)spiro[3.4]octan-1-amine is sourced from PubChem (CID 64864038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).