2-(dimethylamino)-4-methylphenol;hydrochloride

C9H14ClNO — CID 155973469

IUPAC2-(dimethylamino)-4-methylphenol;hydrochloride
SMILESCc1ccc(O)c(N(C)C)c1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-7-4-5-9(11)8(6-7)10(2)3;/h4-6,11H,1-3H3;1H
InChIKeyKBAOWLAEVNBULX-UHFFFAOYSA-N
MW187.67 g/mol
LogP2.19
Rot. Bonds1

About 2-(dimethylamino)-4-methylphenol;hydrochloride

2-(dimethylamino)-4-methylphenol;hydrochloride (PubChem CID 155973469) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is 2-(dimethylamino)-4-methylphenol;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-4-methylphenol;hydrochloride
PubChem CID155973469
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name2-(dimethylamino)-4-methylphenol;hydrochloride
SMILESCc1ccc(O)c(N(C)C)c1.Cl
InChIInChI=1S/C9H13NO.ClH/c1-7-4-5-9(11)8(6-7)10(2)3;/h4-6,11H,1-3H3;1H
InChIKeyKBAOWLAEVNBULX-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-methylphenol;hydrochloride?
The IUPAC name of 2-(dimethylamino)-4-methylphenol;hydrochloride (CID 155973469) is 2-(dimethylamino)-4-methylphenol;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)-4-methylphenol;hydrochloride?
The canonical SMILES for 2-(dimethylamino)-4-methylphenol;hydrochloride is Cc1ccc(O)c(N(C)C)c1.Cl.
What is the InChIKey of 2-(dimethylamino)-4-methylphenol;hydrochloride?
The InChIKey is KBAOWLAEVNBULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c1-7-4-5-9(11)8(6-7)10(2)3;/h4-6,11H,1-3H3;1H.
What are the key properties of 2-(dimethylamino)-4-methylphenol;hydrochloride?
2-(dimethylamino)-4-methylphenol;hydrochloride has a molecular weight of 187.67 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-methylphenol;hydrochloride is sourced from PubChem (CID 155973469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).