2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol

C10H14INO — CID 77130523

IUPAC2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
SMILESCc1cc(C(N)CO)cc(C)c1I
InChIInChI=1S/C10H14INO/c1-6-3-8(9(12)5-13)4-7(2)10(6)11/h3-4,9,13H,5,12H2,1-2H3
InChIKeyHQHMMOBEUCAZRW-UHFFFAOYSA-N
MW291.13 g/mol
LogP1.90
Rot. Bonds2

About 2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol

2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol (PubChem CID 77130523) has the molecular formula C10H14INO and a molecular weight of 291.13 g/mol. Its IUPAC name is 2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
PubChem CID77130523
Molecular FormulaC10H14INO
Molecular Weight291.13 g/mol
Exact Mass291.01
IUPAC Name2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
SMILESCc1cc(C(N)CO)cc(C)c1I
InChIInChI=1S/C10H14INO/c1-6-3-8(9(12)5-13)4-7(2)10(6)11/h3-4,9,13H,5,12H2,1-2H3
InChIKeyHQHMMOBEUCAZRW-UHFFFAOYSA-N
XLogP1.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 51.90
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

(2R)-2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
CID 66515636
(2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol
CID 66515891
2-amino-2-(3,5-diiodophenyl)ethanol
CID 130000796
2-amino-2-(3,5-dimethylphenyl)ethanol
CID 60756661
4-[(1R)-1-amino-2-hydroxyethyl]-2,6-dimethylbenzonitrile
CID 130668278
5-(1-amino-2-hydroxyethyl)-2-methoxy-3-methylphenol
CID 117287047
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
3-(1-amino-2-hydroxyethyl)-5-methylphenol
CID 84765201
4-[(1R)-1,2-diaminoethyl]-2,6-dimethylphenol
CID 66516147
(2S)-2-amino-2-(3,5-difluorophenyl)ethanol
CID 55278901
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
(2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol
CID 66515906

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol?
The IUPAC name of 2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol (CID 77130523) is 2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol.
What is the SMILES notation for 2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol?
The canonical SMILES for 2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol is Cc1cc(C(N)CO)cc(C)c1I.
What is the InChIKey of 2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol?
The InChIKey is HQHMMOBEUCAZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO/c1-6-3-8(9(12)5-13)4-7(2)10(6)11/h3-4,9,13H,5,12H2,1-2H3.
What are the key properties of 2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol?
2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol has a molecular weight of 291.13 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol is sourced from PubChem (CID 77130523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).