1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride

C10H15ClN2O — CID 170896135

IUPAC1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride
SMILESCN(C)CC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-12(2)7-10(13)8-3-5-9(11)6-4-8;/h3-6H,7,11H2,1-2H3;1H
InChIKeyVXUMIJLSNUBXAG-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.43
Rot. Bonds3

About 1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride

1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride (PubChem CID 170896135) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride
PubChem CID170896135
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride
SMILESCN(C)CC(=O)c1ccc(N)cc1.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-12(2)7-10(13)8-3-5-9(11)6-4-8;/h3-6H,7,11H2,1-2H3;1H
InChIKeyVXUMIJLSNUBXAG-UHFFFAOYSA-N
XLogP1.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-1-(4-phenylphenyl)ethanone;hydrochloride
CID 117066734
2-(dimethylamino)-1-[4-(methylamino)phenyl]ethanone
CID 55296835
1-[4-[2-(dimethylamino)acetyl]phenyl]-2,2-dimethylpropan-1-one
CID 21490372
2-(dimethylamino)-1-(4-phenylphenyl)ethanone
CID 768313
1-(4-aminophenyl)propan-1-one
CID 6270
2-(dimethylamino)-1-(4-methylsulfonylphenyl)ethanone
CID 170896030
1-(4-aminophenyl)-2-hydroxyethanone
CID 19755805
1-(4-aminophenyl)-2-[butyl(ethyl)amino]ethanone
CID 82256582
1-(4-aminophenyl)-2-sulfanylethanone
CID 89175546
4-aminobenzoic acid;4-(dimethylamino)-3-methylbutan-2-ol;hydrochloride
CID 23616993
1-[4-[2-(dimethylamino)acetyl]phenyl]pyrrole-2,5-dione
CID 170895995
4-amino-N-(2-amino-2-oxoethyl)-N-methylbenzamide
CID 43373883

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride?
The IUPAC name of 1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride (CID 170896135) is 1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride is CN(C)CC(=O)c1ccc(N)cc1.Cl.
What is the InChIKey of 1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride?
The InChIKey is VXUMIJLSNUBXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.ClH/c1-12(2)7-10(13)8-3-5-9(11)6-4-8;/h3-6H,7,11H2,1-2H3;1H.
What are the key properties of 1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride?
1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-2-(dimethylamino)ethanone;hydrochloride is sourced from PubChem (CID 170896135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).