2-(aminomethyl)-4-chloro-6-iodophenol;hydrochloride

C7H8Cl2INO — CID 45264197

IUPAC2-(aminomethyl)-4-chloro-6-iodophenol;hydrochloride
SMILESCl.NCc1cc(Cl)cc(I)c1O
InChIInChI=1S/C7H7ClINO.ClH/c8-5-1-4(3-10)7(11)6(9)2-5;/h1-2,11H,3,10H2;1H
InChIKeyKABPYUYCIDTPAT-UHFFFAOYSA-N
MW319.96 g/mol
LogP2.53
Rot. Bonds1

About 2-(aminomethyl)-4-chloro-6-iodophenol;hydrochloride

2-(aminomethyl)-4-chloro-6-iodophenol;hydrochloride (PubChem CID 45264197) has the molecular formula C7H8Cl2INO and a molecular weight of 319.96 g/mol. Its IUPAC name is 2-(aminomethyl)-4-chloro-6-iodophenol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-4-chloro-6-iodophenol;hydrochloride
PubChem CID45264197
Molecular FormulaC7H8Cl2INO
Molecular Weight319.96 g/mol
Exact Mass318.90
IUPAC Name2-(aminomethyl)-4-chloro-6-iodophenol;hydrochloride
SMILESCl.NCc1cc(Cl)cc(I)c1O
InChIInChI=1S/C7H7ClINO.ClH/c8-5-1-4(3-10)7(11)6(9)2-5;/h1-2,11H,3,10H2;1H
InChIKeyKABPYUYCIDTPAT-UHFFFAOYSA-N
XLogP2.53
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.96
LogP ≤ 52.53
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-Chloro-2-[(dimethylamino)methyl]phenol
CID 308174
4-Chloro-2-{[(4-chlorobenzyl)amino]methyl}phenol
CID 25162918
4-Chloro-2-{[(2-chlorobenzyl)amino]methyl}phenol
CID 28446963
2-(Aminomethyl)-4-chlorophenol
CID 230844
2-(Aminomethyl)-4-chloro-3-methylphenol;hydrochloride
CID 45264071
4-Chloro-2-[[(4-fluorophenyl)methylamino]methyl]phenol;hydrochloride
CID 25161470
4-Chloro-2-[(cyclohexylmethylamino)methyl]phenol;hydrochloride
CID 25163928
2-(Aminomethyl)-4,6-diiodophenol;hydrochloride
CID 45259812
2-(Aminomethyl)-3,4-dichlorophenol
CID 12652210
2-(Aminomethyl)-4,6-dichlorophenol
CID 12652211
2-(Aminomethyl)-4,6-dichlorobenzene-1,3-diol;hydrochloride
CID 45259682
2-(Aminomethyl)-4,6-dichloro-3-fluorophenol;hydrochloride
CID 45259800

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-chloro-6-iodophenol;hydrochloride?
The IUPAC name of 2-(aminomethyl)-4-chloro-6-iodophenol;hydrochloride (CID 45264197) is 2-(aminomethyl)-4-chloro-6-iodophenol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-4-chloro-6-iodophenol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-4-chloro-6-iodophenol;hydrochloride is Cl.NCc1cc(Cl)cc(I)c1O.
What is the InChIKey of 2-(aminomethyl)-4-chloro-6-iodophenol;hydrochloride?
The InChIKey is KABPYUYCIDTPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClINO.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-chloro-6-iodophenol;hydrochloride?
2-(aminomethyl)-4-chloro-6-iodophenol;hydrochloride has a molecular weight of 319.96 g/mol, XLogP of 2.53, 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-iodophenol;hydrochloride is sourced from PubChem (CID 45264197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).