(1S,2R)-1-amino-1-(4-iodo-3-methoxyphenyl)propan-2-ol

C10H14INO2 — CID 130648193

IUPAC(1S,2R)-1-amino-1-(4-iodo-3-methoxyphenyl)propan-2-ol
SMILESCOc1cc([C@H](N)[C@@H](C)O)ccc1I
InChIInChI=1S/C10H14INO2/c1-6(13)10(12)7-3-4-8(11)9(5-7)14-2/h3-6,10,13H,12H2,1-2H3/t6-,10-/m1/s1
InChIKeyRYXNBLFXAXEVTD-LHLIQPBNSA-N
MW307.13 g/mol
LogP1.68
Rot. Bonds3

About (1S,2R)-1-amino-1-(4-iodo-3-methoxyphenyl)propan-2-ol

(1S,2R)-1-amino-1-(4-iodo-3-methoxyphenyl)propan-2-ol (PubChem CID 130648193) has the molecular formula C10H14INO2 and a molecular weight of 307.13 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(4-iodo-3-methoxyphenyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(4-iodo-3-methoxyphenyl)propan-2-ol
PubChem CID130648193
Molecular FormulaC10H14INO2
Molecular Weight307.13 g/mol
Exact Mass307.01
IUPAC Name(1S,2R)-1-amino-1-(4-iodo-3-methoxyphenyl)propan-2-ol
SMILESCOc1cc([C@H](N)[C@@H](C)O)ccc1I
InChIInChI=1S/C10H14INO2/c1-6(13)10(12)7-3-4-8(11)9(5-7)14-2/h3-6,10,13H,12H2,1-2H3/t6-,10-/m1/s1
InChIKeyRYXNBLFXAXEVTD-LHLIQPBNSA-N
XLogP1.68
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.13
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(1R,2S)-1-amino-1-(4-methoxy-3-methylphenyl)propan-2-ol
CID 96622534
(1S,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269885
(1R,2S)-1-amino-1-(3-amino-4-methoxyphenyl)propan-2-ol
CID 55269657
(1R,2S)-1-amino-1-(4-iodo-3-methylphenyl)propan-2-ol
CID 130691885
(1S)-1-(4-iodo-3-methoxyphenyl)ethane-1,2-diamine
CID 130741212
(1R,2S)-1-amino-1-(3,4-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160772
(3S)-3-amino-3-(4-iodo-3-methoxyphenyl)propanenitrile
CID 131145897
4-[(1S)-1-amino-2-methylpropyl]-2-methoxyphenol
CID 55254286
(1S)-1-(3-iodo-4-methoxyphenyl)ethanamine
CID 130647745
4-[(1R,2R)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 131007796
4-[(1R,2S)-1-amino-2-hydroxypropyl]benzene-1,2-diol
CID 55295292
(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine
CID 130934760

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(4-iodo-3-methoxyphenyl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(4-iodo-3-methoxyphenyl)propan-2-ol (CID 130648193) is (1S,2R)-1-amino-1-(4-iodo-3-methoxyphenyl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(4-iodo-3-methoxyphenyl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(4-iodo-3-methoxyphenyl)propan-2-ol is COc1cc([C@H](N)[C@@H](C)O)ccc1I.
What is the InChIKey of (1S,2R)-1-amino-1-(4-iodo-3-methoxyphenyl)propan-2-ol?
The InChIKey is RYXNBLFXAXEVTD-LHLIQPBNSA-N. The full InChI is InChI=1S/C10H14INO2/c1-6(13)10(12)7-3-4-8(11)9(5-7)14-2/h3-6,10,13H,12H2,1-2H3/t6-,10-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(4-iodo-3-methoxyphenyl)propan-2-ol?
(1S,2R)-1-amino-1-(4-iodo-3-methoxyphenyl)propan-2-ol has a molecular weight of 307.13 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(4-iodo-3-methoxyphenyl)propan-2-ol is sourced from PubChem (CID 130648193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).