3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide

C16H19N3O — CID 43457958

IUPAC3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
SMILESCN(Cc1cccc(N)c1)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C16H19N3O/c1-19(11-13-5-3-7-15(17)9-13)10-12-4-2-6-14(8-12)16(18)20/h2-9H,10-11,17H2,1H3,(H2,18,20)
InChIKeyHKYOZPPNNKQCKT-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.00
Rot. Bonds5

About 3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide

3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide (PubChem CID 43457958) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide.

Molecular Properties

Compound Name3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
PubChem CID43457958
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
SMILESCN(Cc1cccc(N)c1)Cc1cccc(C(N)=O)c1
InChIInChI=1S/C16H19N3O/c1-19(11-13-5-3-7-15(17)9-13)10-12-4-2-6-14(8-12)16(18)20/h2-9H,10-11,17H2,1H3,(H2,18,20)
InChIKeyHKYOZPPNNKQCKT-UHFFFAOYSA-N
XLogP2.00
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide
CID 62325164
N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 43375822
3-[(dipropylamino)methyl]benzamide
CID 82041313
2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide
CID 43457988
3-[[bis(dimethylamino)methylideneamino]methyl]benzamide;hydroiodide
CID 75493968
3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide
CID 62325163
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
3-[[[(2R)-3-ethoxy-2-hydroxypropyl]-methylamino]methyl]benzamide
CID 96540781
3-[[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]methyl]benzamide
CID 86979182

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide?
The IUPAC name of 3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide (CID 43457958) is 3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide.
What is the SMILES notation for 3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide?
The canonical SMILES for 3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide is CN(Cc1cccc(N)c1)Cc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide?
The InChIKey is HKYOZPPNNKQCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(11-13-5-3-7-15(17)9-13)10-12-4-2-6-14(8-12)16(18)20/h2-9H,10-11,17H2,1H3,(H2,18,20).
What are the key properties of 3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide?
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide is sourced from PubChem (CID 43457958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).