2-(methylamino)phenol;hydrochloride

C7H10ClNO — CID 20571417

IUPAC2-(methylamino)phenol;hydrochloride
SMILESCNc1ccccc1O.Cl
InChIInChI=1S/C7H9NO.ClH/c1-8-6-4-2-3-5-7(6)9;/h2-5,8-9H,1H3;1H
InChIKeyGXOAQMMUABIVCR-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.86
Rot. Bonds1

About 2-(methylamino)phenol;hydrochloride

2-(methylamino)phenol;hydrochloride (PubChem CID 20571417) has the molecular formula C7H10ClNO and a molecular weight of 159.62 g/mol. Its IUPAC name is 2-(methylamino)phenol;hydrochloride.

Molecular Properties

Compound Name2-(methylamino)phenol;hydrochloride
PubChem CID20571417
Molecular FormulaC7H10ClNO
Molecular Weight159.62 g/mol
Exact Mass159.05
IUPAC Name2-(methylamino)phenol;hydrochloride
SMILESCNc1ccccc1O.Cl
InChIInChI=1S/C7H9NO.ClH/c1-8-6-4-2-3-5-7(6)9;/h2-5,8-9H,1H3;1H
InChIKeyGXOAQMMUABIVCR-UHFFFAOYSA-N
XLogP1.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-Aminophenol
CID 5801
n-Methyl-p-aminophenol
CID 5931
Acetarsol
CID 1985
2-Acetamidophenol
CID 11972
4-(Dimethylamino)phenol
CID 22174
o-(1-Piperazinyl)phenol
CID 70530
2-Aminophenol hydrochloride
CID 5800
2-(Dimethylamino)phenol
CID 459235
3-Ethylaminophenol
CID 578991
Neoarsphenamine
CID 76961391
2-Hydroxyphenylthiourea
CID 3003569
o-(Methylamino)phenol
CID 69138

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)phenol;hydrochloride?
The IUPAC name of 2-(methylamino)phenol;hydrochloride (CID 20571417) is 2-(methylamino)phenol;hydrochloride.
What is the SMILES notation for 2-(methylamino)phenol;hydrochloride?
The canonical SMILES for 2-(methylamino)phenol;hydrochloride is CNc1ccccc1O.Cl.
What is the InChIKey of 2-(methylamino)phenol;hydrochloride?
The InChIKey is GXOAQMMUABIVCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.ClH/c1-8-6-4-2-3-5-7(6)9;/h2-5,8-9H,1H3;1H.
What are the key properties of 2-(methylamino)phenol;hydrochloride?
2-(methylamino)phenol;hydrochloride has a molecular weight of 159.62 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)phenol;hydrochloride is sourced from PubChem (CID 20571417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).