2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol

C17H19ClINO — CID 107606651

IUPAC2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CNc2ccc(I)cc2Cl)cc1
InChIInChI=1S/C17H19ClINO/c1-11(2)12-3-5-13(6-4-12)17(21)10-20-16-8-7-14(19)9-15(16)18/h3-9,11,17,20-21H,10H2,1-2H3
InChIKeyYBIHNDNIARTBCU-UHFFFAOYSA-N
MW415.70 g/mol
LogP5.21
Rot. Bonds5

About 2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol

2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol (PubChem CID 107606651) has the molecular formula C17H19ClINO and a molecular weight of 415.70 g/mol. Its IUPAC name is 2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol
PubChem CID107606651
Molecular FormulaC17H19ClINO
Molecular Weight415.70 g/mol
Exact Mass415.02
IUPAC Name2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(C(O)CNc2ccc(I)cc2Cl)cc1
InChIInChI=1S/C17H19ClINO/c1-11(2)12-3-5-13(6-4-12)17(21)10-20-16-8-7-14(19)9-15(16)18/h3-9,11,17,20-21H,10H2,1-2H3
InChIKeyYBIHNDNIARTBCU-UHFFFAOYSA-N
XLogP5.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.70
LogP ≤ 55.21
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-(3-fluorophenyl)ethanol
CID 107606605
1-(1,3-benzodioxol-5-yl)-2-(2-chloro-4-iodoanilino)ethanol
CID 107606301
2-(2-chloro-4-methylanilino)-1-(4-chlorophenyl)ethanol
CID 60724888
2-(2,4-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60903681
2-chloro-4-iodo-N-(3-methoxy-2-methylpropyl)aniline
CID 116501073
2-(2-chloro-4-methylanilino)-1-phenylethanol
CID 55026534
2-(2-fluoro-4-methylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60901348
1-(2-chloro-4-iodoanilino)-2,3-dimethylbutan-2-ol
CID 107606330
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline
CID 43733742
2-(2,6-dimethylanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 62330797
2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897560

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol (CID 107606651) is 2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(C(O)CNc2ccc(I)cc2Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol?
The InChIKey is YBIHNDNIARTBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClINO/c1-11(2)12-3-5-13(6-4-12)17(21)10-20-16-8-7-14(19)9-15(16)18/h3-9,11,17,20-21H,10H2,1-2H3.
What are the key properties of 2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol?
2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol has a molecular weight of 415.70 g/mol, XLogP of 5.21, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-iodoanilino)-1-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 107606651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).