1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol

C14H12Cl2INO — CID 63489373

IUPAC1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol
SMILESOC(CNc1cccc(I)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2INO/c15-9-4-5-13(16)12(6-9)14(19)8-18-11-3-1-2-10(17)7-11/h1-7,14,18-19H,8H2
InChIKeyNBSOAYWUBBHWEJ-UHFFFAOYSA-N
MW408.07 g/mol
LogP4.74
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol

1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol (PubChem CID 63489373) has the molecular formula C14H12Cl2INO and a molecular weight of 408.07 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol
PubChem CID63489373
Molecular FormulaC14H12Cl2INO
Molecular Weight408.07 g/mol
Exact Mass406.93
IUPAC Name1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol
SMILESOC(CNc1cccc(I)c1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H12Cl2INO/c15-9-4-5-13(16)12(6-9)14(19)8-18-11-3-1-2-10(17)7-11/h1-7,14,18-19H,8H2
InChIKeyNBSOAYWUBBHWEJ-UHFFFAOYSA-N
XLogP4.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.07
LogP ≤ 54.74
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-(2,5-dichlorophenyl)-2-(3,5-dimethylanilino)ethanol
CID 60899526
1-(2,5-dichlorophenyl)-2-(3-fluoro-4-methylanilino)ethanol
CID 60901653
1-(2,5-dichlorophenyl)-2-(2,3-dihydro-1H-inden-5-ylamino)ethanol
CID 60896402
1-chloro-3-(3-iodoanilino)propan-2-ol
CID 168641034
2-(3-bromo-2-methylanilino)-1-(2,5-dichlorophenyl)ethanol
CID 107634052
1-(3-chlorophenyl)-2-(3-fluoroanilino)ethanol
CID 82045084
2-(3-chloroanilino)-1-(4-propan-2-ylphenyl)ethanol
CID 60897560
2-(benzylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60896669
(2R)-1-(3-chloroanilino)propan-2-ol
CID 39237835
1-(2,5-dichlorophenyl)-2-[(3-fluorophenyl)methylamino]ethanol
CID 60900214
1-(2,5-dichlorophenyl)-2-(2,6-dichlorophenyl)ethanol
CID 63411090
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol (CID 63489373) is 1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol is OC(CNc1cccc(I)c1)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol?
The InChIKey is NBSOAYWUBBHWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2INO/c15-9-4-5-13(16)12(6-9)14(19)8-18-11-3-1-2-10(17)7-11/h1-7,14,18-19H,8H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol?
1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol has a molecular weight of 408.07 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(3-iodoanilino)ethanol is sourced from PubChem (CID 63489373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).