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

C9H13ClINO — CID 171269903

IUPAC(1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1ccccc1I.Cl
InChIInChI=1S/C9H12INO.ClH/c1-6(12)9(11)7-4-2-3-5-8(7)10;/h2-6,9,12H,11H2,1H3;1H/t6-,9-;/m1./s1
InChIKeyBGYWWUCGQHMNOS-SOWVLMPRSA-N
MW313.57 g/mol
LogP2.09
Rot. Bonds2

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

(1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride (PubChem CID 171269903) has the molecular formula C9H13ClINO and a molecular weight of 313.57 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride
PubChem CID171269903
Molecular FormulaC9H13ClINO
Molecular Weight313.57 g/mol
Exact Mass312.97
IUPAC Name(1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride
SMILESC[C@@H](O)[C@@H](N)c1ccccc1I.Cl
InChIInChI=1S/C9H12INO.ClH/c1-6(12)9(11)7-4-2-3-5-8(7)10;/h2-6,9,12H,11H2,1H3;1H/t6-,9-;/m1./s1
InChIKeyBGYWWUCGQHMNOS-SOWVLMPRSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.57
LogP ≤ 52.09
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

(1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol
CID 130724635
(1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride
CID 171269904
(1R,2S)-1-amino-1-(2-methylphenyl)propan-2-ol;hydrochloride
CID 171160087
2-[(1R,2S)-1-amino-2-hydroxypropyl]phenol
CID 55292695
(1R,2S)-1-amino-1-(2-iodophenyl)-5-methylhexan-2-ol
CID 171264246
(1S,2R)-1-amino-1-[2-(difluoromethyl)phenyl]propan-2-ol
CID 130613465
1-amino-1-(2-methoxyphenyl)propan-2-ol;hydrochloride
CID 162343351
(1R,2S)-1-amino-1-(2-bromophenyl)propan-2-ol
CID 131030004
3-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol;hydrochloride
CID 171261358
1-(2-iodophenyl)-3-methylbutan-1-amine
CID 115782664
3-(1-amino-2-hydroxypropyl)-1H-pyridine-2-thione
CID 55282503
2-[(1S,2R)-1-amino-2-hydroxypropyl]benzonitrile;hydrochloride
CID 171267325

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride (CID 171269903) is (1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride is C[C@@H](O)[C@@H](N)c1ccccc1I.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride?
The InChIKey is BGYWWUCGQHMNOS-SOWVLMPRSA-N. The full InChI is InChI=1S/C9H12INO.ClH/c1-6(12)9(11)7-4-2-3-5-8(7)10;/h2-6,9,12H,11H2,1H3;1H/t6-,9-;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride has a molecular weight of 313.57 g/mol, XLogP of 2.09, 2 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)propan-2-ol;hydrochloride is sourced from PubChem (CID 171269903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).