(2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol

C9H12INO — CID 66515906

IUPAC(2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol
SMILESCc1cc(I)ccc1[C@H](N)CO
InChIInChI=1S/C9H12INO/c1-6-4-7(10)2-3-8(6)9(11)5-12/h2-4,9,12H,5,11H2,1H3/t9-/m1/s1
InChIKeyIXDYWIQBCVUNGC-SECBINFHSA-N
MW277.11 g/mol
LogP1.59
Rot. Bonds2

About (2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol

(2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol (PubChem CID 66515906) has the molecular formula C9H12INO and a molecular weight of 277.11 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol
PubChem CID66515906
Molecular FormulaC9H12INO
Molecular Weight277.11 g/mol
Exact Mass277.00
IUPAC Name(2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol
SMILESCc1cc(I)ccc1[C@H](N)CO
InChIInChI=1S/C9H12INO/c1-6-4-7(10)2-3-8(6)9(11)5-12/h2-4,9,12H,5,11H2,1H3/t9-/m1/s1
InChIKeyIXDYWIQBCVUNGC-SECBINFHSA-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

(2S)-2-amino-2-(2,4-dimethylphenyl)ethanol
CID 42579716
4-[(1R)-1-amino-2-hydroxyethyl]-3-methylphenol
CID 66513632
(2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol
CID 66515777
2-amino-2-(4-bromo-2-methylphenyl)ethanol;hydrochloride
CID 138109643
2-amino-2-(2,4,5-trimethylphenyl)ethanol
CID 17389879
2-[(1S)-1-amino-2-hydroxyethyl]-5-iodobenzoic acid
CID 66516246
4-[(1S)-1-amino-2-hydroxyethyl]-3-methylbenzoic acid
CID 66513892
(2S)-2-amino-2-(2-iodo-5-methylphenyl)ethanol
CID 66515904
(2R)-2-amino-2-(2-methyl-4-pyrrolidin-1-ylphenyl)ethanol
CID 66514395
1-(2,4-dimethylphenyl)-2-(4-iodophenyl)ethanamine
CID 115864016
2-[(1S)-1-amino-2-hydroxyethyl]-5-methylphenol
CID 55277705
2-amino-2-(4-iodo-3,5-dimethylphenyl)ethanol
CID 77130523

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol (CID 66515906) is (2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol is Cc1cc(I)ccc1[C@H](N)CO.
What is the InChIKey of (2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol?
The InChIKey is IXDYWIQBCVUNGC-SECBINFHSA-N. The full InChI is InChI=1S/C9H12INO/c1-6-4-7(10)2-3-8(6)9(11)5-12/h2-4,9,12H,5,11H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol?
(2S)-2-amino-2-(4-iodo-2-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 (2S)-2-amino-2-(4-iodo-2-methylphenyl)ethanol is sourced from PubChem (CID 66515906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).