2-(3-iodophenyl)-2-(3-methylanilino)ethanol

C15H16INO — CID 114283122

IUPAC2-(3-iodophenyl)-2-(3-methylanilino)ethanol
SMILESCc1cccc(NC(CO)c2cccc(I)c2)c1
InChIInChI=1S/C15H16INO/c1-11-4-2-7-14(8-11)17-15(10-18)12-5-3-6-13(16)9-12/h2-9,15,17-18H,10H2,1H3
InChIKeyITUJNYVVHIWNJM-UHFFFAOYSA-N
MW353.20 g/mol
LogP3.75
Rot. Bonds4

About 2-(3-iodophenyl)-2-(3-methylanilino)ethanol

2-(3-iodophenyl)-2-(3-methylanilino)ethanol (PubChem CID 114283122) has the molecular formula C15H16INO and a molecular weight of 353.20 g/mol. Its IUPAC name is 2-(3-iodophenyl)-2-(3-methylanilino)ethanol.

Molecular Properties

Compound Name2-(3-iodophenyl)-2-(3-methylanilino)ethanol
PubChem CID114283122
Molecular FormulaC15H16INO
Molecular Weight353.20 g/mol
Exact Mass353.03
IUPAC Name2-(3-iodophenyl)-2-(3-methylanilino)ethanol
SMILESCc1cccc(NC(CO)c2cccc(I)c2)c1
InChIInChI=1S/C15H16INO/c1-11-4-2-7-14(8-11)17-15(10-18)12-5-3-6-13(16)9-12/h2-9,15,17-18H,10H2,1H3
InChIKeyITUJNYVVHIWNJM-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 53.75
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-(3-methylanilino)-2-(3-methylphenyl)ethanol
CID 61050180
2-(3-bromophenyl)-2-(3-methylanilino)ethanol
CID 61048787
4-[2-hydroxy-1-(3-methylanilino)ethyl]-2,6-dimethylphenol
CID 61050381
2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol
CID 106818139
2-(3-methylanilino)-2-(4-methylsulfanylphenyl)ethanol
CID 61049384
2-(4-methoxy-3-methylphenyl)-2-(3-methylanilino)ethanol
CID 62131550
2-(3-methylanilino)-2-quinolin-6-ylethanol
CID 63970817
2-(3-chloroanilino)-2-(3-chlorophenyl)ethanol
CID 61049948
2-(2-fluorophenyl)-2-(3-methylanilino)ethanol
CID 61050184
2-(2-ethylphenyl)-2-(3-methylanilino)ethanol
CID 55067115
N-[1-(3-fluorophenyl)propyl]-3-methylaniline
CID 114870935
2-(3-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79050495

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-2-(3-methylanilino)ethanol?
The IUPAC name of 2-(3-iodophenyl)-2-(3-methylanilino)ethanol (CID 114283122) is 2-(3-iodophenyl)-2-(3-methylanilino)ethanol.
What is the SMILES notation for 2-(3-iodophenyl)-2-(3-methylanilino)ethanol?
The canonical SMILES for 2-(3-iodophenyl)-2-(3-methylanilino)ethanol is Cc1cccc(NC(CO)c2cccc(I)c2)c1.
What is the InChIKey of 2-(3-iodophenyl)-2-(3-methylanilino)ethanol?
The InChIKey is ITUJNYVVHIWNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO/c1-11-4-2-7-14(8-11)17-15(10-18)12-5-3-6-13(16)9-12/h2-9,15,17-18H,10H2,1H3.
What are the key properties of 2-(3-iodophenyl)-2-(3-methylanilino)ethanol?
2-(3-iodophenyl)-2-(3-methylanilino)ethanol has a molecular weight of 353.20 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-2-(3-methylanilino)ethanol is sourced from PubChem (CID 114283122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).