2-(4-chloro-2-iodoanilino)-1-phenylethanol

C14H13ClINO — CID 101467777

IUPAC2-(4-chloro-2-iodoanilino)-1-phenylethanol
SMILESOC(CNc1ccc(Cl)cc1I)c1ccccc1
InChIInChI=1S/C14H13ClINO/c15-11-6-7-13(12(16)8-11)17-9-14(18)10-4-2-1-3-5-10/h1-8,14,17-18H,9H2
InChIKeyOOSMTKDZMDOJHU-UHFFFAOYSA-N
MW373.62 g/mol
LogP4.09
Rot. Bonds4

About 2-(4-chloro-2-iodoanilino)-1-phenylethanol

2-(4-chloro-2-iodoanilino)-1-phenylethanol (PubChem CID 101467777) has the molecular formula C14H13ClINO and a molecular weight of 373.62 g/mol. Its IUPAC name is 2-(4-chloro-2-iodoanilino)-1-phenylethanol.

Molecular Properties

Compound Name2-(4-chloro-2-iodoanilino)-1-phenylethanol
PubChem CID101467777
Molecular FormulaC14H13ClINO
Molecular Weight373.62 g/mol
Exact Mass372.97
IUPAC Name2-(4-chloro-2-iodoanilino)-1-phenylethanol
SMILESOC(CNc1ccc(Cl)cc1I)c1ccccc1
InChIInChI=1S/C14H13ClINO/c15-11-6-7-13(12(16)8-11)17-9-14(18)10-4-2-1-3-5-10/h1-8,14,17-18H,9H2
InChIKeyOOSMTKDZMDOJHU-UHFFFAOYSA-N
XLogP4.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.62
LogP ≤ 54.09
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-(5-chloro-2-methylanilino)-1-phenylethanol
CID 60721635
2-(2-chloro-4-methylanilino)-1-phenylethanol
CID 55026534
N-benzyl-4-chloro-2-iodoaniline
CID 71507320
2-(2,4-difluoroanilino)-1-phenylethanol
CID 60721673
2-(3-chloro-4-fluoroanilino)-1-phenylethanol
CID 82045081
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
1-(3-fluorophenyl)-2-(2-iodoanilino)ethanol
CID 60900233
1-phenyl-2-(2,3,5,6-tetrafluoroanilino)ethanol
CID 107644490
1-(4-chlorophenyl)-2-(2-methylsulfanylanilino)ethanol
CID 107644582
methyl 5-chloro-2-(2-phenylpropylamino)benzoate
CID 43678738
1-(3-bromophenyl)-2-(5-chloro-2-fluoroanilino)ethanol
CID 60909028
2-(2-amino-4-bromoanilino)-1-phenylethanol
CID 43498872

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-iodoanilino)-1-phenylethanol?
The IUPAC name of 2-(4-chloro-2-iodoanilino)-1-phenylethanol (CID 101467777) is 2-(4-chloro-2-iodoanilino)-1-phenylethanol.
What is the SMILES notation for 2-(4-chloro-2-iodoanilino)-1-phenylethanol?
The canonical SMILES for 2-(4-chloro-2-iodoanilino)-1-phenylethanol is OC(CNc1ccc(Cl)cc1I)c1ccccc1.
What is the InChIKey of 2-(4-chloro-2-iodoanilino)-1-phenylethanol?
The InChIKey is OOSMTKDZMDOJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClINO/c15-11-6-7-13(12(16)8-11)17-9-14(18)10-4-2-1-3-5-10/h1-8,14,17-18H,9H2.
What are the key properties of 2-(4-chloro-2-iodoanilino)-1-phenylethanol?
2-(4-chloro-2-iodoanilino)-1-phenylethanol has a molecular weight of 373.62 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-iodoanilino)-1-phenylethanol is sourced from PubChem (CID 101467777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).