3-[(dimethylamino)methyl]benzamide;hydrochloride

C10H15ClN2O — CID 68818367

IUPAC3-[(dimethylamino)methyl]benzamide;hydrochloride
SMILESCN(C)Cc1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-12(2)7-8-4-3-5-9(6-8)10(11)13;/h3-6H,7H2,1-2H3,(H2,11,13);1H
InChIKeyBEURLOFRFGLHRI-UHFFFAOYSA-N
MW214.70 g/mol
LogP1.27
Rot. Bonds3

About 3-[(dimethylamino)methyl]benzamide;hydrochloride

3-[(dimethylamino)methyl]benzamide;hydrochloride (PubChem CID 68818367) has the molecular formula C10H15ClN2O and a molecular weight of 214.70 g/mol. Its IUPAC name is 3-[(dimethylamino)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name3-[(dimethylamino)methyl]benzamide;hydrochloride
PubChem CID68818367
Molecular FormulaC10H15ClN2O
Molecular Weight214.70 g/mol
Exact Mass214.09
IUPAC Name3-[(dimethylamino)methyl]benzamide;hydrochloride
SMILESCN(C)Cc1cccc(C(N)=O)c1.Cl
InChIInChI=1S/C10H14N2O.ClH/c1-12(2)7-8-4-3-5-9(6-8)10(11)13;/h3-6H,7H2,1-2H3,(H2,11,13);1H
InChIKeyBEURLOFRFGLHRI-UHFFFAOYSA-N
XLogP1.27
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.70
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
3,5-bis[(dimethylamino)methyl]benzamide
CID 101488535
ethyl 3-[(dimethylamino)methyl]benzoate
CID 118181907
3-[(dipropylamino)methyl]benzamide
CID 82041313
2-[3-[(dimethylamino)methyl]phenyl]benzene-1,4-dicarboxamide
CID 67802565
1-[3-[(dimethylamino)methyl]phenyl]-2,2-dimethylpropan-1-one
CID 58256831
3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide
CID 75493968
methylaminomethyl 3-[(dimethylamino)methyl]benzoate
CID 166955135
3-benzylbenzamide;hydrochloride
CID 159409318
3-(sulfanylmethyl)benzamide
CID 118350806
3-(2-methylpropyl)benzamide
CID 23130390
3-[[[(2R)-2-(dimethylamino)-3-phenylpropanoyl]-methylamino]methyl]benzamide
CID 95614937

Frequently Asked Questions

What is the IUPAC name of 3-[(dimethylamino)methyl]benzamide;hydrochloride?
The IUPAC name of 3-[(dimethylamino)methyl]benzamide;hydrochloride (CID 68818367) is 3-[(dimethylamino)methyl]benzamide;hydrochloride.
What is the SMILES notation for 3-[(dimethylamino)methyl]benzamide;hydrochloride?
The canonical SMILES for 3-[(dimethylamino)methyl]benzamide;hydrochloride is CN(C)Cc1cccc(C(N)=O)c1.Cl.
What is the InChIKey of 3-[(dimethylamino)methyl]benzamide;hydrochloride?
The InChIKey is BEURLOFRFGLHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O.ClH/c1-12(2)7-8-4-3-5-9(6-8)10(11)13;/h3-6H,7H2,1-2H3,(H2,11,13);1H.
What are the key properties of 3-[(dimethylamino)methyl]benzamide;hydrochloride?
3-[(dimethylamino)methyl]benzamide;hydrochloride has a molecular weight of 214.70 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dimethylamino)methyl]benzamide;hydrochloride is sourced from PubChem (CID 68818367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).