(1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride

C10H15ClINO — CID 171269904

IUPAC(1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride
SMILESCC[C@@H](O)[C@@H](N)c1ccccc1I.Cl
InChIInChI=1S/C10H14INO.ClH/c1-2-9(13)10(12)7-5-3-4-6-8(7)11;/h3-6,9-10,13H,2,12H2,1H3;1H/t9-,10+;/m1./s1
InChIKeySHQWQSOGHCBRDW-UXQCFNEQSA-N
MW327.59 g/mol
LogP2.48
Rot. Bonds3

About (1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride

(1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride (PubChem CID 171269904) has the molecular formula C10H15ClINO and a molecular weight of 327.59 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride
PubChem CID171269904
Molecular FormulaC10H15ClINO
Molecular Weight327.59 g/mol
Exact Mass326.99
IUPAC Name(1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride
SMILESCC[C@@H](O)[C@@H](N)c1ccccc1I.Cl
InChIInChI=1S/C10H14INO.ClH/c1-2-9(13)10(12)7-5-3-4-6-8(7)11;/h3-6,9-10,13H,2,12H2,1H3;1H/t9-,10+;/m1./s1
InChIKeySHQWQSOGHCBRDW-UXQCFNEQSA-N
XLogP2.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.59
LogP ≤ 52.48
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,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride
CID 171269903
(1R,2S)-1-amino-1-(2-iodophenyl)-5-methylhexan-2-ol
CID 171264246
(1R,2S)-1-amino-1-(2-fluorophenyl)butan-2-ol;hydrochloride
CID 171160706
(1R,2S)-1-amino-1-(2-methoxyphenyl)butan-2-ol
CID 96622527
(1R,2S)-1-amino-1-naphthalen-1-ylbutan-2-ol
CID 171161126
2-[(1R,2S)-1-amino-2-hydroxybutyl]benzonitrile;hydrochloride
CID 171261638
(1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol
CID 130724635
(1R,2S)-1-amino-1-[2-(difluoromethoxy)phenyl]butan-2-ol
CID 171264497
(1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride
CID 171230114
2-amino-1-(2-iodophenyl)ethanol
CID 14059960
(1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride
CID 171261502
(1R,2S)-1-amino-1-(3-bromo-2-fluorophenyl)butan-2-ol
CID 130785366

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride (CID 171269904) is (1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride is CC[C@@H](O)[C@@H](N)c1ccccc1I.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride?
The InChIKey is SHQWQSOGHCBRDW-UXQCFNEQSA-N. The full InChI is InChI=1S/C10H14INO.ClH/c1-2-9(13)10(12)7-5-3-4-6-8(7)11;/h3-6,9-10,13H,2,12H2,1H3;1H/t9-,10+;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride has a molecular weight of 327.59 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride is sourced from PubChem (CID 171269904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).