2-(aminomethyl)-4-chloro-6-iodo-3-methylphenol;hydrochloride

C8H10Cl2INO — CID 45259772

IUPAC2-(aminomethyl)-4-chloro-6-iodo-3-methylphenol;hydrochloride
SMILESCc1c(Cl)cc(I)c(O)c1CN.Cl
InChIInChI=1S/C8H9ClINO.ClH/c1-4-5(3-11)8(12)7(10)2-6(4)9;/h2,12H,3,11H2,1H3;1H
InChIKeyUQBZYVHXYREBHX-UHFFFAOYSA-N
MW333.98 g/mol
LogP2.84
Rot. Bonds1

About 2-(aminomethyl)-4-chloro-6-iodo-3-methylphenol;hydrochloride

2-(aminomethyl)-4-chloro-6-iodo-3-methylphenol;hydrochloride (PubChem CID 45259772) has the molecular formula C8H10Cl2INO and a molecular weight of 333.98 g/mol. Its IUPAC name is 2-(aminomethyl)-4-chloro-6-iodo-3-methylphenol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-4-chloro-6-iodo-3-methylphenol;hydrochloride
PubChem CID45259772
Molecular FormulaC8H10Cl2INO
Molecular Weight333.98 g/mol
Exact Mass332.92
IUPAC Name2-(aminomethyl)-4-chloro-6-iodo-3-methylphenol;hydrochloride
SMILESCc1c(Cl)cc(I)c(O)c1CN.Cl
InChIInChI=1S/C8H9ClINO.ClH/c1-4-5(3-11)8(12)7(10)2-6(4)9;/h2,12H,3,11H2,1H3;1H
InChIKeyUQBZYVHXYREBHX-UHFFFAOYSA-N
XLogP2.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.98
LogP ≤ 52.84
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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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-chloro-6-iodo-3-methylphenol;hydrochloride?
The IUPAC name of 2-(aminomethyl)-4-chloro-6-iodo-3-methylphenol;hydrochloride (CID 45259772) is 2-(aminomethyl)-4-chloro-6-iodo-3-methylphenol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-4-chloro-6-iodo-3-methylphenol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-4-chloro-6-iodo-3-methylphenol;hydrochloride is Cc1c(Cl)cc(I)c(O)c1CN.Cl.
What is the InChIKey of 2-(aminomethyl)-4-chloro-6-iodo-3-methylphenol;hydrochloride?
The InChIKey is UQBZYVHXYREBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClINO.ClH/c1-4-5(3-11)8(12)7(10)2-6(4)9;/h2,12H,3,11H2,1H3;1H.
What are the key properties of 2-(aminomethyl)-4-chloro-6-iodo-3-methylphenol;hydrochloride?
2-(aminomethyl)-4-chloro-6-iodo-3-methylphenol;hydrochloride has a molecular weight of 333.98 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-chloro-6-iodo-3-methylphenol;hydrochloride is sourced from PubChem (CID 45259772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).