3-(2-iodophenoxy)spiro[3.4]octan-1-amine

C14H18INO — CID 66358472

IUPAC3-(2-iodophenoxy)spiro[3.4]octan-1-amine
SMILESNC1CC(Oc2ccccc2I)C12CCCC2
InChIInChI=1S/C14H18INO/c15-10-5-1-2-6-11(10)17-13-9-12(16)14(13)7-3-4-8-14/h1-2,5-6,12-13H,3-4,7-9,16H2
InChIKeyHEVMAUCQKUHUOP-UHFFFAOYSA-N
MW343.21 g/mol
LogP3.33
Rot. Bonds2

About 3-(2-iodophenoxy)spiro[3.4]octan-1-amine

3-(2-iodophenoxy)spiro[3.4]octan-1-amine (PubChem CID 66358472) has the molecular formula C14H18INO and a molecular weight of 343.21 g/mol. Its IUPAC name is 3-(2-iodophenoxy)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(2-iodophenoxy)spiro[3.4]octan-1-amine
PubChem CID66358472
Molecular FormulaC14H18INO
Molecular Weight343.21 g/mol
Exact Mass343.04
IUPAC Name3-(2-iodophenoxy)spiro[3.4]octan-1-amine
SMILESNC1CC(Oc2ccccc2I)C12CCCC2
InChIInChI=1S/C14H18INO/c15-10-5-1-2-6-11(10)17-13-9-12(16)14(13)7-3-4-8-14/h1-2,5-6,12-13H,3-4,7-9,16H2
InChIKeyHEVMAUCQKUHUOP-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.21
LogP ≤ 53.33
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-(2-ethylphenoxy)spiro[3.5]nonan-1-amine
CID 66358870
3-naphthalen-2-yloxyspiro[3.4]octan-1-amine
CID 66358347
3-(2-bromo-6-methoxyphenoxy)spiro[3.5]nonan-1-amine
CID 83135242
3-(2,4-dibromophenoxy)spiro[3.4]octan-1-amine
CID 66352704
3-(2-methoxy-4-methylphenoxy)spiro[3.6]decan-1-amine
CID 66358567
3-(2-bromo-4-chlorophenoxy)spiro[3.4]octan-1-amine
CID 66357945
3-(5-bromo-2-methylphenoxy)spiro[3.4]octan-1-amine
CID 107287279
3-(5-bromo-2-fluorophenoxy)spiro[3.6]decan-1-amine
CID 114677220
3-(2-bromo-4-methoxyphenoxy)spiro[3.5]nonan-1-amine
CID 104708728
3-(4-tert-butylphenoxy)spiro[3.4]octan-1-amine
CID 66358515
3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine
CID 66357950
3-(2-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66357306

Frequently Asked Questions

What is the IUPAC name of 3-(2-iodophenoxy)spiro[3.4]octan-1-amine?
The IUPAC name of 3-(2-iodophenoxy)spiro[3.4]octan-1-amine (CID 66358472) is 3-(2-iodophenoxy)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(2-iodophenoxy)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-(2-iodophenoxy)spiro[3.4]octan-1-amine is NC1CC(Oc2ccccc2I)C12CCCC2.
What is the InChIKey of 3-(2-iodophenoxy)spiro[3.4]octan-1-amine?
The InChIKey is HEVMAUCQKUHUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO/c15-10-5-1-2-6-11(10)17-13-9-12(16)14(13)7-3-4-8-14/h1-2,5-6,12-13H,3-4,7-9,16H2.
What are the key properties of 3-(2-iodophenoxy)spiro[3.4]octan-1-amine?
3-(2-iodophenoxy)spiro[3.4]octan-1-amine has a molecular weight of 343.21 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-iodophenoxy)spiro[3.4]octan-1-amine is sourced from PubChem (CID 66358472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).