3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide

C16H19N3O — CID 110474429

IUPAC3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide
SMILESCN(C)c1ccccc1CNC(=O)c1cccc(N)c1
InChIInChI=1S/C16H19N3O/c1-19(2)15-9-4-3-6-13(15)11-18-16(20)12-7-5-8-14(17)10-12/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyGOZXSTXJLKZWOG-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.26
Rot. Bonds4

About 3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide

3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide (PubChem CID 110474429) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide
PubChem CID110474429
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide
SMILESCN(C)c1ccccc1CNC(=O)c1cccc(N)c1
InChIInChI=1S/C16H19N3O/c1-19(2)15-9-4-3-6-13(15)11-18-16(20)12-7-5-8-14(17)10-12/h3-10H,11,17H2,1-2H3,(H,18,20)
InChIKeyGOZXSTXJLKZWOG-UHFFFAOYSA-N
XLogP2.26
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.26
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

N-[[2-(dimethylamino)phenyl]methyl]pyridine-4-carboxamide
CID 110471313
3-amino-N-(1,3-benzodioxol-4-ylmethyl)benzamide
CID 61212849
3-amino-N-[[2-(tert-butylsulfamoyl)phenyl]methyl]benzamide
CID 119751225
1-N,3-N-bis[(2-methylphenyl)methyl]benzene-1,3-dicarboxamide
CID 109054196
3-amino-N-[3-(dimethylamino)-3-oxopropyl]benzamide
CID 54937953
N-[[2-(dimethylamino)phenyl]methyl]-2-methylpropanamide
CID 110470326
3-amino-N-[4-(dimethylamino)-4-oxobutyl]benzamide
CID 119748277
4-[3-[[(2-aminoacetyl)-methylamino]methyl]phenyl]-N-[[2-(dimethylamino)phenyl]methyl]benzamide
CID 70584009
3-amino-N-[2-(dimethylamino)-2-methylpropyl]benzamide;dihydrochloride
CID 119830617
N-[[2-(dimethylamino)phenyl]methyl]thiophene-2-carboxamide
CID 110471616
3-amino-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 43471397
3-amino-N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119845555

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide?
The IUPAC name of 3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide (CID 110474429) is 3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide.
What is the SMILES notation for 3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide?
The canonical SMILES for 3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide is CN(C)c1ccccc1CNC(=O)c1cccc(N)c1.
What is the InChIKey of 3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide?
The InChIKey is GOZXSTXJLKZWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(2)15-9-4-3-6-13(15)11-18-16(20)12-7-5-8-14(17)10-12/h3-10H,11,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide?
3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(dimethylamino)phenyl]methyl]benzamide is sourced from PubChem (CID 110474429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).