2-(aminomethyl)-3-chlorophenol;hydrochloride

C7H9Cl2NO — CID 112756552

IUPAC2-(aminomethyl)-3-chlorophenol;hydrochloride
SMILESCl.NCc1c(O)cccc1Cl
InChIInChI=1S/C7H8ClNO.ClH/c8-6-2-1-3-7(10)5(6)4-9;/h1-3,10H,4,9H2;1H
InChIKeyZSADJEXVOWGLGF-UHFFFAOYSA-N
MW194.06 g/mol
LogP1.93
Rot. Bonds1

About 2-(aminomethyl)-3-chlorophenol;hydrochloride

2-(aminomethyl)-3-chlorophenol;hydrochloride (PubChem CID 112756552) has the molecular formula C7H9Cl2NO and a molecular weight of 194.06 g/mol. Its IUPAC name is 2-(aminomethyl)-3-chlorophenol;hydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-3-chlorophenol;hydrochloride
PubChem CID112756552
Molecular FormulaC7H9Cl2NO
Molecular Weight194.06 g/mol
Exact Mass193.01
IUPAC Name2-(aminomethyl)-3-chlorophenol;hydrochloride
SMILESCl.NCc1c(O)cccc1Cl
InChIInChI=1S/C7H8ClNO.ClH/c8-6-2-1-3-7(10)5(6)4-9;/h1-3,10H,4,9H2;1H
InChIKeyZSADJEXVOWGLGF-UHFFFAOYSA-N
XLogP1.93
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-chlorophenol;hydrochloride?
The IUPAC name of 2-(aminomethyl)-3-chlorophenol;hydrochloride (CID 112756552) is 2-(aminomethyl)-3-chlorophenol;hydrochloride.
What is the SMILES notation for 2-(aminomethyl)-3-chlorophenol;hydrochloride?
The canonical SMILES for 2-(aminomethyl)-3-chlorophenol;hydrochloride is Cl.NCc1c(O)cccc1Cl.
What is the InChIKey of 2-(aminomethyl)-3-chlorophenol;hydrochloride?
The InChIKey is ZSADJEXVOWGLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO.ClH/c8-6-2-1-3-7(10)5(6)4-9;/h1-3,10H,4,9H2;1H.
What are the key properties of 2-(aminomethyl)-3-chlorophenol;hydrochloride?
2-(aminomethyl)-3-chlorophenol;hydrochloride has a molecular weight of 194.06 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-chlorophenol;hydrochloride is sourced from PubChem (CID 112756552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).