3-amino-2,6-dimethylphenol;hydrochloride

C8H12ClNO — CID 21322807

IUPAC3-amino-2,6-dimethylphenol;hydrochloride
SMILESCc1ccc(N)c(C)c1O.Cl
InChIInChI=1S/C8H11NO.ClH/c1-5-3-4-7(9)6(2)8(5)10;/h3-4,10H,9H2,1-2H3;1H
InChIKeyKVSBANULCRXKCG-UHFFFAOYSA-N
MW173.64 g/mol
LogP2.01
Rot. Bonds

About 3-amino-2,6-dimethylphenol;hydrochloride

3-amino-2,6-dimethylphenol;hydrochloride (PubChem CID 21322807) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 3-amino-2,6-dimethylphenol;hydrochloride.

Molecular Properties

Compound Name3-amino-2,6-dimethylphenol;hydrochloride
PubChem CID21322807
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name3-amino-2,6-dimethylphenol;hydrochloride
SMILESCc1ccc(N)c(C)c1O.Cl
InChIInChI=1S/C8H11NO.ClH/c1-5-3-4-7(9)6(2)8(5)10;/h3-4,10H,9H2,1-2H3;1H
InChIKeyKVSBANULCRXKCG-UHFFFAOYSA-N
XLogP2.01
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,6-dimethylphenol;hydrochloride?
The IUPAC name of 3-amino-2,6-dimethylphenol;hydrochloride (CID 21322807) is 3-amino-2,6-dimethylphenol;hydrochloride.
What is the SMILES notation for 3-amino-2,6-dimethylphenol;hydrochloride?
The canonical SMILES for 3-amino-2,6-dimethylphenol;hydrochloride is Cc1ccc(N)c(C)c1O.Cl.
What is the InChIKey of 3-amino-2,6-dimethylphenol;hydrochloride?
The InChIKey is KVSBANULCRXKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.ClH/c1-5-3-4-7(9)6(2)8(5)10;/h3-4,10H,9H2,1-2H3;1H.
What are the key properties of 3-amino-2,6-dimethylphenol;hydrochloride?
3-amino-2,6-dimethylphenol;hydrochloride has a molecular weight of 173.64 g/mol, XLogP of 2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,6-dimethylphenol;hydrochloride is sourced from PubChem (CID 21322807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).