1-(2-iodoanilino)-2-methylbutan-2-ol

C11H16INO — CID 114492760

IUPAC1-(2-iodoanilino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1ccccc1I
InChIInChI=1S/C11H16INO/c1-3-11(2,14)8-13-10-7-5-4-6-9(10)12/h4-7,13-14H,3,8H2,1-2H3
InChIKeyUZIFANOFMWVIJA-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.86
Rot. Bonds4

About 1-(2-iodoanilino)-2-methylbutan-2-ol

1-(2-iodoanilino)-2-methylbutan-2-ol (PubChem CID 114492760) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is 1-(2-iodoanilino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-iodoanilino)-2-methylbutan-2-ol
PubChem CID114492760
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC Name1-(2-iodoanilino)-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1ccccc1I
InChIInChI=1S/C11H16INO/c1-3-11(2,14)8-13-10-7-5-4-6-9(10)12/h4-7,13-14H,3,8H2,1-2H3
InChIKeyUZIFANOFMWVIJA-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-chloro-2-methylanilino)-2-methylbutan-2-ol
CID 114492530
2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide
CID 65110251
2-(2-iodoanilino)ethanol
CID 28978311
1-(2,4-dimethylanilino)-2-methylbutan-2-ol
CID 114492467
ethyl 3-(2-iodoanilino)propanoate
CID 43174220
1-(2,6-diethylanilino)-2-methylbutan-2-ol
CID 114493054
2-(ethylamino)-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65109341
1-(2-bromo-5-methylanilino)-2-methylbutan-2-ol
CID 114493488
2-iodo-N-(3-phenylprop-2-enyl)aniline
CID 78944181
1-(2-iodoanilino)-3-methylbutan-2-ol
CID 126975335
4-(2-iodoanilino)butan-2-one
CID 71353813
1-(2-fluorophenyl)-3-[(2S)-2-hydroxy-2-methylbutyl]urea
CID 94798731

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodoanilino)-2-methylbutan-2-ol?
The IUPAC name of 1-(2-iodoanilino)-2-methylbutan-2-ol (CID 114492760) is 1-(2-iodoanilino)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2-iodoanilino)-2-methylbutan-2-ol?
The canonical SMILES for 1-(2-iodoanilino)-2-methylbutan-2-ol is CCC(C)(O)CNc1ccccc1I.
What is the InChIKey of 1-(2-iodoanilino)-2-methylbutan-2-ol?
The InChIKey is UZIFANOFMWVIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO/c1-3-11(2,14)8-13-10-7-5-4-6-9(10)12/h4-7,13-14H,3,8H2,1-2H3.
What are the key properties of 1-(2-iodoanilino)-2-methylbutan-2-ol?
1-(2-iodoanilino)-2-methylbutan-2-ol has a molecular weight of 305.16 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodoanilino)-2-methylbutan-2-ol is sourced from PubChem (CID 114492760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).