(1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol

C9H13IN2O — CID 131118871

IUPAC(1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1cc(I)ccc1N
InChIInChI=1S/C9H13IN2O/c1-5(13)9(12)7-4-6(10)2-3-8(7)11/h2-5,9,13H,11-12H2,1H3/t5-,9-/m1/s1
InChIKeyJYRMPSMHRIUVRW-MLUIRONXSA-N
MW292.12 g/mol
LogP1.25
Rot. Bonds2

About (1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol

(1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol (PubChem CID 131118871) has the molecular formula C9H13IN2O and a molecular weight of 292.12 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol
PubChem CID131118871
Molecular FormulaC9H13IN2O
Molecular Weight292.12 g/mol
Exact Mass292.01
IUPAC Name(1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol
SMILESC[C@@H](O)[C@@H](N)c1cc(I)ccc1N
InChIInChI=1S/C9H13IN2O/c1-5(13)9(12)7-4-6(10)2-3-8(7)11/h2-5,9,13H,11-12H2,1H3/t5-,9-/m1/s1
InChIKeyJYRMPSMHRIUVRW-MLUIRONXSA-N
XLogP1.25
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S)-1-amino-1-(5-iodo-2-methylphenyl)propan-2-ol
CID 130701477
4-amino-3-[(1S)-1-amino-2-hydroxypropyl]phenol
CID 130658898
(1S)-1-amino-1-(2-amino-5-chlorophenyl)propan-2-ol
CID 130778347
1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol
CID 130000045
2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol
CID 130604734
2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline
CID 130042651
(2S)-2-amino-2-(2-amino-5-iodophenyl)ethanol
CID 66515777
2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol;hydrochloride
CID 171271638
(1R)-1-amino-1-(2-amino-4-bromophenyl)propan-2-ol
CID 130943677
(1S)-1-amino-1-(2-amino-4-fluorophenyl)propan-2-ol
CID 130707231
(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171266075
(1R,2R)-1-amino-1-(2-amino-5-bromo-4-chlorophenyl)propan-2-ol
CID 130649240

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol?
The IUPAC name of (1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol (CID 131118871) is (1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol.
What is the SMILES notation for (1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol?
The canonical SMILES for (1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol is C[C@@H](O)[C@@H](N)c1cc(I)ccc1N.
What is the InChIKey of (1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol?
The InChIKey is JYRMPSMHRIUVRW-MLUIRONXSA-N. The full InChI is InChI=1S/C9H13IN2O/c1-5(13)9(12)7-4-6(10)2-3-8(7)11/h2-5,9,13H,11-12H2,1H3/t5-,9-/m1/s1.
What are the key properties of (1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol?
(1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol has a molecular weight of 292.12 g/mol, XLogP of 1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(2-amino-5-iodophenyl)propan-2-ol is sourced from PubChem (CID 131118871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).