(2S)-2-amino-1-(4-iodophenyl)propan-2-ol

C9H12INO — CID 119090994

IUPAC(2S)-2-amino-1-(4-iodophenyl)propan-2-ol
SMILESC[C@](N)(O)Cc1ccc(I)cc1
InChIInChI=1S/C9H12INO/c1-9(11,12)6-7-2-4-8(10)5-3-7/h2-5,12H,6,11H2,1H3/t9-/m0/s1
InChIKeyILXACEUXDGKZAD-VIFPVBQESA-N
MW277.11 g/mol
LogP1.50
Rot. Bonds2

About (2S)-2-amino-1-(4-iodophenyl)propan-2-ol

(2S)-2-amino-1-(4-iodophenyl)propan-2-ol (PubChem CID 119090994) has the molecular formula C9H12INO and a molecular weight of 277.11 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-iodophenyl)propan-2-ol.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-iodophenyl)propan-2-ol
PubChem CID119090994
Molecular FormulaC9H12INO
Molecular Weight277.11 g/mol
Exact Mass277.00
IUPAC Name(2S)-2-amino-1-(4-iodophenyl)propan-2-ol
SMILESC[C@](N)(O)Cc1ccc(I)cc1
InChIInChI=1S/C9H12INO/c1-9(11,12)6-7-2-4-8(10)5-3-7/h2-5,12H,6,11H2,1H3/t9-/m0/s1
InChIKeyILXACEUXDGKZAD-VIFPVBQESA-N
XLogP1.50
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (2S)-2-amino-1-(4-iodophenyl)propan-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

1-amino-3-(4-iodophenyl)-2-methylpropan-2-ol
CID 66037217
2-cyclopropyl-1-(4-iodophenyl)propan-2-ol
CID 65477048
ethyl (2R)-2-amino-3-(4-iodophenyl)-2-methylpropanoate
CID 131875959
1-(4-iodophenyl)-3-(4-methoxyphenyl)-2-methylpropan-2-amine
CID 65477669
[1-(4-iodophenyl)-2-methylpropan-2-yl] carbamate
CID 151461309
1-(3-chloro-2,2-dimethylpropyl)-4-iodobenzene
CID 66060397
2-amino-1-phenylpropan-2-ol;sulfuric acid
CID 69452092
1-[4-(2,2-dihydroxypropyl)phenyl]propane-2,2-diol
CID 19697324
2-ethyl-2-[(4-iodophenyl)methyl]butanoic acid
CID 65479075
2-[(4-iodophenyl)methyl]-2,3-dimethylbutanoic acid
CID 83149161
2-cyclopropyl-3-(4-iodophenyl)-2-methylpropan-1-amine
CID 83147875
1-[(4-iodophenyl)methoxy]-2-methylpropan-2-amine
CID 65476413

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-iodophenyl)propan-2-ol?
The IUPAC name of (2S)-2-amino-1-(4-iodophenyl)propan-2-ol (CID 119090994) is (2S)-2-amino-1-(4-iodophenyl)propan-2-ol.
What is the SMILES notation for (2S)-2-amino-1-(4-iodophenyl)propan-2-ol?
The canonical SMILES for (2S)-2-amino-1-(4-iodophenyl)propan-2-ol is C[C@](N)(O)Cc1ccc(I)cc1.
What is the InChIKey of (2S)-2-amino-1-(4-iodophenyl)propan-2-ol?
The InChIKey is ILXACEUXDGKZAD-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12INO/c1-9(11,12)6-7-2-4-8(10)5-3-7/h2-5,12H,6,11H2,1H3/t9-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-iodophenyl)propan-2-ol?
(2S)-2-amino-1-(4-iodophenyl)propan-2-ol has a molecular weight of 277.11 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-iodophenyl)propan-2-ol is sourced from PubChem (CID 119090994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).