2-[2-(dimethylamino)ethoxy]-5-iodoaniline

C10H15IN2O — CID 66081959

IUPAC2-[2-(dimethylamino)ethoxy]-5-iodoaniline
SMILESCN(C)CCOc1ccc(I)cc1N
InChIInChI=1S/C10H15IN2O/c1-13(2)5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyXIJCDFWLFSHQHH-UHFFFAOYSA-N
MW306.15 g/mol
LogP1.81
Rot. Bonds4

About 2-[2-(dimethylamino)ethoxy]-5-iodoaniline

2-[2-(dimethylamino)ethoxy]-5-iodoaniline (PubChem CID 66081959) has the molecular formula C10H15IN2O and a molecular weight of 306.15 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethoxy]-5-iodoaniline.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethoxy]-5-iodoaniline
PubChem CID66081959
Molecular FormulaC10H15IN2O
Molecular Weight306.15 g/mol
Exact Mass306.02
IUPAC Name2-[2-(dimethylamino)ethoxy]-5-iodoaniline
SMILESCN(C)CCOc1ccc(I)cc1N
InChIInChI=1S/C10H15IN2O/c1-13(2)5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,5-6,12H2,1-2H3
InChIKeyXIJCDFWLFSHQHH-UHFFFAOYSA-N
XLogP1.81
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-2-(3-methylbutoxy)aniline
CID 66080957
3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile
CID 61103813
2-[2-(dimethylamino)ethoxy]-5-(2-trimethylsilylethynyl)aniline
CID 69338150
3-(4-iodo-2-methylphenoxy)-N,N-dimethylpropan-1-amine;hydrochloride
CID 6457208
3-amino-4-[2-(dimethylamino)ethoxy]-N-methylbenzamide
CID 79021333
1-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-2-methylpropan-1-one
CID 82064323
3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylpropanamide
CID 82153401
2-(2-cyclobutylethoxy)-5-iodoaniline
CID 106199721
2-methylpropyl 3-amino-4-[2-(dimethylamino)ethoxy]benzoate
CID 82057399
(Z)-3-[3-amino-4-[2-(dimethylamino)ethoxy]phenyl]-N-[2-(dimethylamino)ethyl]prop-2-enamide
CID 94759712
5-iodo-2-[(4-methoxyphenyl)methoxy]aniline
CID 66079969
3-amino-N-cyclohexyl-4-[2-(dimethylamino)ethoxy]benzamide
CID 82070507

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethoxy]-5-iodoaniline?
The IUPAC name of 2-[2-(dimethylamino)ethoxy]-5-iodoaniline (CID 66081959) is 2-[2-(dimethylamino)ethoxy]-5-iodoaniline.
What is the SMILES notation for 2-[2-(dimethylamino)ethoxy]-5-iodoaniline?
The canonical SMILES for 2-[2-(dimethylamino)ethoxy]-5-iodoaniline is CN(C)CCOc1ccc(I)cc1N.
What is the InChIKey of 2-[2-(dimethylamino)ethoxy]-5-iodoaniline?
The InChIKey is XIJCDFWLFSHQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15IN2O/c1-13(2)5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of 2-[2-(dimethylamino)ethoxy]-5-iodoaniline?
2-[2-(dimethylamino)ethoxy]-5-iodoaniline has a molecular weight of 306.15 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethoxy]-5-iodoaniline is sourced from PubChem (CID 66081959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).