1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol

C10H14INO — CID 66037217

IUPAC1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1ccc(I)cc1
InChIInChI=1S/C10H14INO/c1-10(13,7-12)6-8-2-4-9(11)5-3-8/h2-5,13H,6-7,12H2,1H3
InChIKeyWRQFMWJJNKOGPS-UHFFFAOYSA-N
MW291.13 g/mol
LogP1.54
Rot. Bonds3

About 1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol

1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol (PubChem CID 66037217) has the molecular formula C10H14INO and a molecular weight of 291.13 g/mol. Its IUPAC name is 1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol
PubChem CID66037217
Molecular FormulaC10H14INO
Molecular Weight291.13 g/mol
Exact Mass291.01
IUPAC Name1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol
SMILESCC(O)(CN)Cc1ccc(I)cc1
InChIInChI=1S/C10H14INO/c1-10(13,7-12)6-8-2-4-9(11)5-3-8/h2-5,13H,6-7,12H2,1H3
InChIKeyWRQFMWJJNKOGPS-UHFFFAOYSA-N
XLogP1.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol 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

(2S)-2-amino-1-(4-iodophenyl)propan-2-ol
CID 119090994
2-cyclopropyl-3-(4-iodophenyl)-2-methylpropan-1-amine
CID 83147875
2-cyclopropyl-1-(4-iodophenyl)propan-2-ol
CID 65477048
1-amino-3-(3-chloro-4-fluorophenyl)-2-methylpropan-2-ol
CID 103039133
2-fluoro-2-[(4-iodophenyl)methyl]-3-methylbutan-1-amine
CID 112566939
4-(3-amino-2-hydroxy-2-methylpropyl)-2-methoxyphenol
CID 82023643
[1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate
CID 151461309
1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene
CID 66060397
1-[4-(2,2-dihydroxypropyl)phenyl]propane-2,2-diol
CID 19697324
ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate
CID 131875959
1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 65477669
2-ethyl-2-[(4-iodophenyl)methyl]butanoic acid
CID 65479075

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol?
The IUPAC name of 1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol (CID 66037217) is 1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol.
What is the SMILES notation for 1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol?
The canonical SMILES for 1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol is CC(O)(CN)Cc1ccc(I)cc1.
What is the InChIKey of 1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol?
The InChIKey is WRQFMWJJNKOGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO/c1-10(13,7-12)6-8-2-4-9(11)5-3-8/h2-5,13H,6-7,12H2,1H3.
What are the key properties of 1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol?
1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol has a molecular weight of 291.13 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol is sourced from PubChem (CID 66037217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).