1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol

C12H17ClINO — CID 107606330

IUPAC1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNc1ccc(I)cc1Cl
InChIInChI=1S/C12H17ClINO/c1-8(2)12(3,16)7-15-11-5-4-9(14)6-10(11)13/h4-6,8,15-16H,7H2,1-3H3
InChIKeyRGZAACKQPVJYAE-UHFFFAOYSA-N
MW353.63 g/mol
LogP3.76
Rot. Bonds4

About 1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol

1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol (PubChem CID 107606330) has the molecular formula C12H17ClINO and a molecular weight of 353.63 g/mol. Its IUPAC name is 1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol
PubChem CID107606330
Molecular FormulaC12H17ClINO
Molecular Weight353.63 g/mol
Exact Mass353.00
IUPAC Name1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol
SMILESCC(C)C(C)(O)CNc1ccc(I)cc1Cl
InChIInChI=1S/C12H17ClINO/c1-8(2)12(3,16)7-15-11-5-4-9(14)6-10(11)13/h4-6,8,15-16H,7H2,1-3H3
InChIKeyRGZAACKQPVJYAE-UHFFFAOYSA-N
XLogP3.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.63
LogP ≤ 53.76
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

2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 107606651
1-(2,6-dichloroanilino)-2,3-dimethylbutan-2-ol
CID 114493258
2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline
CID 116501073
N-butyl-2-chloro-4-iodoaniline
CID 43733829
2-chloro-N-(2-chloroprop-2-enyl)-4-iodoaniline
CID 107606379
1-(4-fluoro-2-methylanilino)-2,3-dimethylbutan-2-ol
CID 114492688
2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline
CID 43733742
4-(2-chloro-4-iodoanilino)butan-1-ol
CID 107606514
2-chloro-4-iodo-N-(4-methyl-4-phenylpentan-2-yl)aniline
CID 63445453
1-(2-fluoroanilino)-2,3-dimethylbutan-2-ol
CID 114492664
2-chloro-4-iodo-N-(3-methylpentan-2-yl)aniline
CID 43733550
2-chloro-4-iodo-N-octylaniline
CID 63445374

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol (CID 107606330) is 1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol is CC(C)C(C)(O)CNc1ccc(I)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol?
The InChIKey is RGZAACKQPVJYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClINO/c1-8(2)12(3,16)7-15-11-5-4-9(14)6-10(11)13/h4-6,8,15-16H,7H2,1-3H3.
What are the key properties of 1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol?
1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol has a molecular weight of 353.63 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 107606330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).