(3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride

C9H13ClINO — CID 171230144

IUPAC(3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1ccccc1I
InChIInChI=1S/C9H12INO.ClH/c10-8-4-2-1-3-7(8)9(11)5-6-12;/h1-4,9,12H,5-6,11H2;1H/t9-;/m0./s1
InChIKeyBQNBNBZVADDJLL-FVGYRXGTSA-N
MW313.57 g/mol
LogP2.10
Rot. Bonds3

About (3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride

(3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride (PubChem CID 171230144) has the molecular formula C9H13ClINO and a molecular weight of 313.57 g/mol. Its IUPAC name is (3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride
PubChem CID171230144
Molecular FormulaC9H13ClINO
Molecular Weight313.57 g/mol
Exact Mass312.97
IUPAC Name(3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@@H](CCO)c1ccccc1I
InChIInChI=1S/C9H12INO.ClH/c10-8-4-2-1-3-7(8)9(11)5-6-12;/h1-4,9,12H,5-6,11H2;1H/t9-;/m0./s1
InChIKeyBQNBNBZVADDJLL-FVGYRXGTSA-N
XLogP2.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.57
LogP ≤ 52.10
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

(1S)-1-(2-iodophenyl)butan-1-amine;hydrochloride
CID 171230114
(3S)-3-amino-3-(2-chloro-3-iodophenyl)propan-1-ol
CID 130987859
2-(1-amino-3-hydroxypropyl)phenol;hydrochloride
CID 170874374
(1R)-1-(2-iodophenyl)butane-1,4-diamine
CID 171210506
(3S)-3-amino-3-(2,3-dibromophenyl)propan-1-ol
CID 130664899
1-(2-iodophenyl)pent-4-en-1-amine
CID 104987635
3-amino-3-(2-ethylphenyl)propan-1-ol;hydrochloride
CID 170874839
(1S,2R)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride
CID 171269903
1-(2-iodophenyl)-3-methylbutan-1-amine
CID 115782664
(3S)-3-amino-3-(2-propan-2-yloxyphenyl)propan-1-ol;hydrochloride
CID 171231573
3-amino-3-(2-nitrophenyl)propan-1-ol;hydrochloride
CID 170874460
(3S)-3-amino-3-(2-tert-butylsulfanylphenyl)propan-1-ol;hydrochloride
CID 171234540

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride (CID 171230144) is (3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride is Cl.N[C@@H](CCO)c1ccccc1I.
What is the InChIKey of (3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride?
The InChIKey is BQNBNBZVADDJLL-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H12INO.ClH/c10-8-4-2-1-3-7(8)9(11)5-6-12;/h1-4,9,12H,5-6,11H2;1H/t9-;/m0./s1.
What are the key properties of (3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride?
(3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride has a molecular weight of 313.57 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(2-iodophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171230144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).