(2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol

C9H12INO — CID 66515891

IUPAC(2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol
SMILESCc1cc([C@@H](N)CO)ccc1I
InChIInChI=1S/C9H12INO/c1-6-4-7(9(11)5-12)2-3-8(6)10/h2-4,9,12H,5,11H2,1H3/t9-/m0/s1
InChIKeyCRNPODHODZPIKN-VIFPVBQESA-N
MW277.11 g/mol
LogP1.59
Rot. Bonds2

About (2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol

(2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol (PubChem CID 66515891) has the molecular formula C9H12INO and a molecular weight of 277.11 g/mol. Its IUPAC name is (2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol.

Molecular Properties

Compound Name(2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol
PubChem CID66515891
Molecular FormulaC9H12INO
Molecular Weight277.11 g/mol
Exact Mass277.00
IUPAC Name(2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol
SMILESCc1cc([C@@H](N)CO)ccc1I
InChIInChI=1S/C9H12INO/c1-6-4-7(9(11)5-12)2-3-8(6)10/h2-4,9,12H,5,11H2,1H3/t9-/m0/s1
InChIKeyCRNPODHODZPIKN-VIFPVBQESA-N
XLogP1.59
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 ≤ 51.59
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

(1S)-1-(4-iodo-3-methylphenyl)propan-1-amine
CID 130664699
(2R)-2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
CID 66515636
2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
CID 77130523
(2R)-2-amino-2-(3-fluoro-4-iodophenyl)ethanol
CID 66515738
(2S)-2-amino-2-(4-fluoro-3-methylphenyl)ethanol
CID 55278210
(1S)-1-(4-iodo-3-methylphenyl)but-3-en-1-amine
CID 130739983
(1R,2S)-1-amino-1-(4-iodo-3-methylphenyl)propan-2-ol
CID 130691885
(2R)-2-amino-2-(3-bromo-4-methylphenyl)ethanol
CID 66515083
(2S)-2-amino-2-(2-iodo-5-methylphenyl)ethanol
CID 66515904
(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride
CID 133268753
5-(1-amino-2-hydroxyethyl)-2-bromophenol
CID 84795164
(1R)-1-(3-iodo-4-methylphenyl)propan-1-amine
CID 130737749

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol?
The IUPAC name of (2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol (CID 66515891) is (2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol.
What is the SMILES notation for (2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol?
The canonical SMILES for (2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol is Cc1cc([C@@H](N)CO)ccc1I.
What is the InChIKey of (2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol?
The InChIKey is CRNPODHODZPIKN-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12INO/c1-6-4-7(9(11)5-12)2-3-8(6)10/h2-4,9,12H,5,11H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol?
(2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol has a molecular weight of 277.11 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(4-iodo-3-methylphenyl)ethanol is sourced from PubChem (CID 66515891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).