2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride

C11H16ClNO — CID 178200159

IUPAC2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride
SMILESCc1ccccc1C(=O)CN(C)C.Cl
InChIInChI=1S/C11H15NO.ClH/c1-9-6-4-5-7-10(9)11(13)8-12(2)3;/h4-7H,8H2,1-3H3;1H
InChIKeyZAPLVRJFXMMMNI-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.16
Rot. Bonds3

About 2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride

2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride (PubChem CID 178200159) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride
PubChem CID178200159
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride
SMILESCc1ccccc1C(=O)CN(C)C.Cl
InChIInChI=1S/C11H15NO.ClH/c1-9-6-4-5-7-10(9)11(13)8-12(2)3;/h4-7H,8H2,1-3H3;1H
InChIKeyZAPLVRJFXMMMNI-UHFFFAOYSA-N
XLogP2.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-methylphenyl)-2-[methyl(propan-2-yl)amino]ethanone
CID 43794597
2-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(2-methylphenyl)ethanone
CID 103189902
N-[4-[2-(dimethylamino)acetyl]phenyl]-2-methylbenzamide
CID 170896427
3-[methyl-[2-(2-methylphenyl)-2-oxoethyl]amino]propanenitrile
CID 62052130
2-[ethyl(propan-2-yl)amino]-1-(2-methylphenyl)ethanone
CID 43795126
2-[cyanomethyl-[2-(2-methylphenyl)-2-oxoethyl]amino]acetonitrile
CID 62051343
2-[methyl-[(2-methylcyclopropyl)methyl]amino]-1-(2-methylphenyl)ethanone
CID 63865538
2-[methyl-[2-(2-methylphenyl)-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 62035982
2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone
CID 79078017
1,2-bis(2-methylphenyl)ethanone
CID 11345119
2-[1-(2-chlorophenyl)ethyl-methylamino]-1-(2-methylphenyl)ethanone
CID 62980408
2-(dimethylamino)-N-methyl-N-(2-methylphenyl)acetamide
CID 21343400

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride?
The IUPAC name of 2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride (CID 178200159) is 2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride?
The canonical SMILES for 2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride is Cc1ccccc1C(=O)CN(C)C.Cl.
What is the InChIKey of 2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride?
The InChIKey is ZAPLVRJFXMMMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.ClH/c1-9-6-4-5-7-10(9)11(13)8-12(2)3;/h4-7H,8H2,1-3H3;1H.
What are the key properties of 2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride?
2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride has a molecular weight of 213.71 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(2-methylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 178200159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).