1-(2-iodoanilino)-3-methylbutan-2-ol

C11H16INO — CID 126975335

IUPAC1-(2-iodoanilino)-3-methylbutan-2-ol
SMILESCC(C)C(O)CNc1ccccc1I
InChIInChI=1S/C11H16INO/c1-8(2)11(14)7-13-10-6-4-3-5-9(10)12/h3-6,8,11,13-14H,7H2,1-2H3
InChIKeyGHMRSXLYNBTOEV-UHFFFAOYSA-N
MW305.16 g/mol
LogP2.72
Rot. Bonds4

About 1-(2-iodoanilino)-3-methylbutan-2-ol

1-(2-iodoanilino)-3-methylbutan-2-ol (PubChem CID 126975335) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is 1-(2-iodoanilino)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-iodoanilino)-3-methylbutan-2-ol
PubChem CID126975335
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC Name1-(2-iodoanilino)-3-methylbutan-2-ol
SMILESCC(C)C(O)CNc1ccccc1I
InChIInChI=1S/C11H16INO/c1-8(2)11(14)7-13-10-6-4-3-5-9(10)12/h3-6,8,11,13-14H,7H2,1-2H3
InChIKeyGHMRSXLYNBTOEV-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
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-(2-iodoanilino)-3-propan-2-yloxypropan-2-ol
CID 60902154
benzyl 3-(2-iodoanilino)-2-methylpropanoate
CID 106483912
1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol
CID 60900233
2-(2-iodoanilino)ethanol
CID 28978311
3-iodo-2-methyl-N-(3-methyl-2-propan-2-ylbutyl)aniline
CID 114281882
1-(4-ethylphenoxy)-3-(2-iodoanilino)propan-2-ol
CID 63487659
1-(2-iodoanilino)-3-(3-methoxyphenoxy)propan-2-ol
CID 60901769
3-(3-iodo-2-methylanilino)-2-methylpropan-1-ol
CID 126973155
4-(2-iodoanilino)butan-2-one
CID 71353813
1-(2-iodoanilino)-2-methylbutan-2-ol
CID 114492760
2-(2-iodoanilino)-N-(propan-2-ylcarbamoyl)acetamide
CID 18096510
3-(2-iodophenyl)-1,1-bis(2-methylpropyl)urea
CID 47258185

Frequently Asked Questions

What is the IUPAC name of 1-(2-iodoanilino)-3-methylbutan-2-ol?
The IUPAC name of 1-(2-iodoanilino)-3-methylbutan-2-ol (CID 126975335) is 1-(2-iodoanilino)-3-methylbutan-2-ol.
What is the SMILES notation for 1-(2-iodoanilino)-3-methylbutan-2-ol?
The canonical SMILES for 1-(2-iodoanilino)-3-methylbutan-2-ol is CC(C)C(O)CNc1ccccc1I.
What is the InChIKey of 1-(2-iodoanilino)-3-methylbutan-2-ol?
The InChIKey is GHMRSXLYNBTOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO/c1-8(2)11(14)7-13-10-6-4-3-5-9(10)12/h3-6,8,11,13-14H,7H2,1-2H3.
What are the key properties of 1-(2-iodoanilino)-3-methylbutan-2-ol?
1-(2-iodoanilino)-3-methylbutan-2-ol has a molecular weight of 305.16 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodoanilino)-3-methylbutan-2-ol is sourced from PubChem (CID 126975335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).