2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol

C15H16INO2 — CID 81134599

IUPAC2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNc2ccc(I)cc2)c1
InChIInChI=1S/C15H16INO2/c1-19-14-4-2-3-11(9-14)15(18)10-17-13-7-5-12(16)6-8-13/h2-9,15,17-18H,10H2,1H3
InChIKeyLBVUKKQPWDUTOB-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.45
Rot. Bonds5

About 2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol

2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol (PubChem CID 81134599) has the molecular formula C15H16INO2 and a molecular weight of 369.20 g/mol. Its IUPAC name is 2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol
PubChem CID81134599
Molecular FormulaC15H16INO2
Molecular Weight369.20 g/mol
Exact Mass369.02
IUPAC Name2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)CNc2ccc(I)cc2)c1
InChIInChI=1S/C15H16INO2/c1-19-14-4-2-3-11(9-14)15(18)10-17-13-7-5-12(16)6-8-13/h2-9,15,17-18H,10H2,1H3
InChIKeyLBVUKKQPWDUTOB-UHFFFAOYSA-N
XLogP3.45
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxy-3-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 81134083
2-(3-bromo-5-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 107583297
3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]benzamide
CID 107811332
2-(4-fluoro-2-iodoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134030
1-(3-methoxyphenyl)-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]ethanol
CID 133372605
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
1-(3-methoxyphenyl)-2-(propylamino)ethanol
CID 15006474
2-(2,5-dibromoanilino)-1-(3-methoxyphenyl)ethanol
CID 81134139
1-(3-methoxyphenyl)-2-(2-methylprop-2-enylamino)ethanol
CID 114616947
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
2-(5-bromo-2-methylanilino)-1-(3-methoxyphenyl)ethanol
CID 81135103

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol (CID 81134599) is 2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)CNc2ccc(I)cc2)c1.
What is the InChIKey of 2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol?
The InChIKey is LBVUKKQPWDUTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2/c1-19-14-4-2-3-11(9-14)15(18)10-17-13-7-5-12(16)6-8-13/h2-9,15,17-18H,10H2,1H3.
What are the key properties of 2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol?
2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol has a molecular weight of 369.20 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodoanilino)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 81134599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).