(1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol

C11H14INO — CID 131188755

IUPAC(1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol
SMILESN[C@@H](c1cccc(I)c1)[C@H](O)C1CC1
InChIInChI=1S/C11H14INO/c12-9-3-1-2-8(6-9)10(13)11(14)7-4-5-7/h1-3,6-7,10-11,14H,4-5,13H2/t10-,11+/m0/s1
InChIKeyRAKUJDYTJRBDKB-WDEREUQCSA-N
MW303.14 g/mol
LogP2.06
Rot. Bonds3

About (1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol

(1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol (PubChem CID 131188755) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is (1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol
PubChem CID131188755
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name(1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol
SMILESN[C@@H](c1cccc(I)c1)[C@H](O)C1CC1
InChIInChI=1S/C11H14INO/c12-9-3-1-2-8(6-9)10(13)11(14)7-4-5-7/h1-3,6-7,10-11,14H,4-5,13H2/t10-,11+/m0/s1
InChIKeyRAKUJDYTJRBDKB-WDEREUQCSA-N
XLogP2.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.06
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-cyclopropyl-2-hydroxyethyl]phenol;hydrochloride
CID 171160686
2-amino-1-cyclopropyl-2-phenylethanol
CID 62720038
(1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride
CID 171261933
(1R,2S)-2-amino-1-cyclopropyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268438
(1R,2S)-2-amino-2-(3-chlorophenyl)-1-cyclohexylethanol
CID 171162235
(S)-cyclohexyl-(3-iodophenyl)methanamine;hydrochloride
CID 171230172
(1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160346
(1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol
CID 171267876
(R)-(3-iodophenyl)-(oxan-4-yl)methanamine
CID 131503127
(1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266067
5-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzene-1,3-diol
CID 171266816
(1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171262769

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol?
The IUPAC name of (1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol (CID 131188755) is (1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol.
What is the SMILES notation for (1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol?
The canonical SMILES for (1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol is N[C@@H](c1cccc(I)c1)[C@H](O)C1CC1.
What is the InChIKey of (1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol?
The InChIKey is RAKUJDYTJRBDKB-WDEREUQCSA-N. The full InChI is InChI=1S/C11H14INO/c12-9-3-1-2-8(6-9)10(13)11(14)7-4-5-7/h1-3,6-7,10-11,14H,4-5,13H2/t10-,11+/m0/s1.
What are the key properties of (1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol?
(1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol has a molecular weight of 303.14 g/mol, XLogP of 2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol is sourced from PubChem (CID 131188755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).