2-(aminomethyl)-4,6-diiodophenol;hydrochloride

C7H8ClI2NO — CID 45259812

IUPAC2-(aminomethyl)-4,6-diiodophenol;hydrochloride
SMILESCl.NCc1cc(I)cc(I)c1O
InChIInChI=1S/C7H7I2NO.ClH/c8-5-1-4(3-10)7(11)6(9)2-5;/h1-2,11H,3,10H2;1H
InChIKeyVYVNPPWCMCICRM-UHFFFAOYSA-N
MW411.41 g/mol
LogP2.48
Rot. Bonds1

About 2-(aminomethyl)-4,6-diiodophenol;hydrochloride

2-(aminomethyl)-4,6-diiodophenol;hydrochloride (PubChem CID 45259812) has the molecular formula C7H8ClI2NO and a molecular weight of 411.41 g/mol. Its IUPAC name is 2-(aminomethyl)-4,6-diiodophenol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-4,6-diiodophenol;hydrochloride
PubChem CID45259812
Molecular FormulaC7H8ClI2NO
Molecular Weight411.41 g/mol
Exact Mass410.84
IUPAC Name2-(aminomethyl)-4,6-diiodophenol;hydrochloride
SMILESCl.NCc1cc(I)cc(I)c1O
InChIInChI=1S/C7H7I2NO.ClH/c8-5-1-4(3-10)7(11)6(9)2-5;/h1-2,11H,3,10H2;1H
InChIKeyVYVNPPWCMCICRM-UHFFFAOYSA-N
XLogP2.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxybenzylamine
CID 97472
2-(Aminomethyl)phenol
CID 70267
o-Tyramine
CID 74865
3-(Aminomethyl)phenol
CID 735894
2-(Aminomethyl)phenol hydrochloride
CID 22058465
Benzenemethanamine, 2-hydroxy-N-methyl-
CID 143701
2-Aminomethyl-4-t-butyl-6-iodophenol
CID 119286
2-Aminomethyl-4-tert-butyl-6-iodophenol hydrochloride
CID 12634263
2-(1-Aminoethyl)phenol
CID 241456
2-(Aminomethyl)-4,6-dipropylphenol--hydrogen chloride (1/1)
CID 40059
o-Tyramine hydrochloride
CID 199864
(R)-2-(1-Aminoethyl)phenol
CID 11105425

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,6-diiodophenol;hydrochloride?
The IUPAC name of 2-(aminomethyl)-4,6-diiodophenol;hydrochloride (CID 45259812) is 2-(aminomethyl)-4,6-diiodophenol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-4,6-diiodophenol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-4,6-diiodophenol;hydrochloride is Cl.NCc1cc(I)cc(I)c1O.
What is the InChIKey of 2-(aminomethyl)-4,6-diiodophenol;hydrochloride?
The InChIKey is VYVNPPWCMCICRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7I2NO.ClH/c8-5-1-4(3-10)7(11)6(9)2-5;/h1-2,11H,3,10H2;1H.
What are the key properties of 2-(aminomethyl)-4,6-diiodophenol;hydrochloride?
2-(aminomethyl)-4,6-diiodophenol;hydrochloride has a molecular weight of 411.41 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,6-diiodophenol;hydrochloride is sourced from PubChem (CID 45259812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).