(1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride

C15H17ClINO — CID 171264272

IUPAC(1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride
SMILESCl.N[C@H](c1cccc(I)c1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H16INO.ClH/c16-13-8-4-7-12(10-13)15(17)14(18)9-11-5-2-1-3-6-11;/h1-8,10,14-15,18H,9,17H2;1H/t14-,15+;/m0./s1
InChIKeyUHVGGUPUGCYYHE-LDXVYITESA-N
MW389.66 g/mol
LogP3.32
Rot. Bonds4

About (1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride (PubChem CID 171264272) has the molecular formula C15H17ClINO and a molecular weight of 389.66 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride
PubChem CID171264272
Molecular FormulaC15H17ClINO
Molecular Weight389.66 g/mol
Exact Mass389.00
IUPAC Name(1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride
SMILESCl.N[C@H](c1cccc(I)c1)[C@@H](O)Cc1ccccc1
InChIInChI=1S/C15H16INO.ClH/c16-13-8-4-7-12(10-13)15(17)14(18)9-11-5-2-1-3-6-11;/h1-8,10,14-15,18H,9,17H2;1H/t14-,15+;/m0./s1
InChIKeyUHVGGUPUGCYYHE-LDXVYITESA-N
XLogP3.32
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.66
LogP ≤ 53.32
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

3-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]benzonitrile;hydrochloride
CID 171261456
(1S,2R)-1-amino-1-(3,5-dimethylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267421
(1R,2S)-1-amino-1-(3-ethoxyphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262632
(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol
CID 171268459
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171262339
(1S,2R)-1-amino-1-(3-iodophenyl)hexan-2-ol;hydrochloride
CID 171269945
(1R,2S)-1-amino-1-(3,5-difluorophenyl)-3-phenylpropan-2-ol
CID 171262338
(1R,2S)-1-amino-1-(3,5-dichlorophenyl)-3-phenylpropan-2-ol
CID 171261805
2-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]-4,6-diiodophenol;hydrochloride
CID 171265996
(1R,2S)-1-amino-1-(4-chloro-3-fluorophenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171264003
(1S,2R)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171267264
(1R,2S)-1-amino-1-(4-tert-butylphenyl)-3-phenylpropan-2-ol;hydrochloride
CID 171261579

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride (CID 171264272) is (1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride is Cl.N[C@H](c1cccc(I)c1)[C@@H](O)Cc1ccccc1.
What is the InChIKey of (1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride?
The InChIKey is UHVGGUPUGCYYHE-LDXVYITESA-N. The full InChI is InChI=1S/C15H16INO.ClH/c16-13-8-4-7-12(10-13)15(17)14(18)9-11-5-2-1-3-6-11;/h1-8,10,14-15,18H,9,17H2;1H/t14-,15+;/m0./s1.
What are the key properties of (1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride has a molecular weight of 389.66 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(3-iodophenyl)-3-phenylpropan-2-ol;hydrochloride is sourced from PubChem (CID 171264272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).