2-(2-cyclobutylethoxy)-5-iodoaniline

C12H16INO — CID 106199721

IUPAC2-(2-cyclobutylethoxy)-5-iodoaniline
SMILESNc1cc(I)ccc1OCCC1CCC1
InChIInChI=1S/C12H16INO/c13-10-4-5-12(11(14)8-10)15-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7,14H2
InChIKeySTHBRLJHYPDKFF-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.44
Rot. Bonds4

About 2-(2-cyclobutylethoxy)-5-iodoaniline

2-(2-cyclobutylethoxy)-5-iodoaniline (PubChem CID 106199721) has the molecular formula C12H16INO and a molecular weight of 317.17 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-5-iodoaniline.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-5-iodoaniline
PubChem CID106199721
Molecular FormulaC12H16INO
Molecular Weight317.17 g/mol
Exact Mass317.03
IUPAC Name2-(2-cyclobutylethoxy)-5-iodoaniline
SMILESNc1cc(I)ccc1OCCC1CCC1
InChIInChI=1S/C12H16INO/c13-10-4-5-12(11(14)8-10)15-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7,14H2
InChIKeySTHBRLJHYPDKFF-UHFFFAOYSA-N
XLogP3.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(2-cyclopentylethoxy)benzonitrile
CID 114190833
1-(3-cyclopentylpropoxy)-4-iodo-2-methylbenzene
CID 70806278
4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline
CID 106199812
2-(2-cyclobutylethoxy)-4-methoxyaniline
CID 106199765
5-iodo-2-(3-methylbutoxy)aniline
CID 66080957
2-[2-(dimethylamino)ethoxy]-5-iodoaniline
CID 66081959
4-(2-cyclohexylethoxy)-3-methylaniline
CID 26189992
2-(2-cyclobutylethoxy)-6-propoxyaniline
CID 106199742
1-N-(cyclohexylmethyl)-4-iodobenzene-1,2-diamine
CID 66066462
[2-(2-cyclobutylethoxy)-5-fluorophenyl]methanamine
CID 106199490
ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate
CID 114157704
1-(2-cyclohexylethoxy)-2-iodobenzene
CID 155907429

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-5-iodoaniline?
The IUPAC name of 2-(2-cyclobutylethoxy)-5-iodoaniline (CID 106199721) is 2-(2-cyclobutylethoxy)-5-iodoaniline.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-5-iodoaniline?
The canonical SMILES for 2-(2-cyclobutylethoxy)-5-iodoaniline is Nc1cc(I)ccc1OCCC1CCC1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-5-iodoaniline?
The InChIKey is STHBRLJHYPDKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16INO/c13-10-4-5-12(11(14)8-10)15-7-6-9-2-1-3-9/h4-5,8-9H,1-3,6-7,14H2.
What are the key properties of 2-(2-cyclobutylethoxy)-5-iodoaniline?
2-(2-cyclobutylethoxy)-5-iodoaniline has a molecular weight of 317.17 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-5-iodoaniline is sourced from PubChem (CID 106199721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).