3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide

C16H19N3O — CID 115934261

IUPAC3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide
SMILESCc1cccc(CN(C)c2c(N)cccc2C(N)=O)c1
InChIInChI=1S/C16H19N3O/c1-11-5-3-6-12(9-11)10-19(2)15-13(16(18)20)7-4-8-14(15)17/h3-9H,10,17H2,1-2H3,(H2,18,20)
InChIKeyOUEFVLPPYDJETP-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.31
Rot. Bonds4

About 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide

3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide (PubChem CID 115934261) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide.

Molecular Properties

Compound Name3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide
PubChem CID115934261
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide
SMILESCc1cccc(CN(C)c2c(N)cccc2C(N)=O)c1
InChIInChI=1S/C16H19N3O/c1-11-5-3-6-12(9-11)10-19(2)15-13(16(18)20)7-4-8-14(15)17/h3-9H,10,17H2,1-2H3,(H2,18,20)
InChIKeyOUEFVLPPYDJETP-UHFFFAOYSA-N
XLogP2.31
TPSA72.35 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 ≤ 52.31
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-amino-2-[(4-fluorophenyl)methyl-methylamino]benzamide
CID 115934270
5-amino-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxamide
CID 61413892
3-amino-2-[(3-cyanophenyl)methyl-methylamino]benzoic acid
CID 115934917
3-amino-2-[methyl(1,3-thiazol-4-ylmethyl)amino]benzamide
CID 112578626
4-methyl-2-[methyl-[(3-methylphenyl)methyl]amino]benzenecarbothioamide
CID 62301586
2-(aminomethyl)-N,6-dimethyl-N-[(3-methylphenyl)methyl]aniline
CID 107105568
3-amino-2-[(4-fluorophenyl)methyl-methylamino]benzoic acid
CID 115934268
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyridine-2,3-diamine
CID 61414258
3-amino-N,N-dimethyl-5-[methyl-[(3-methylphenyl)methyl]amino]thiophene-2-carboxamide
CID 103418162
5-amino-3-chloro-2-[(3-chlorophenyl)methyl-methylamino]benzamide
CID 107194513
2-amino-5-[(3-bromophenyl)methyl-methylamino]benzamide
CID 61416275
2-[methyl-[(3-methylphenyl)methyl]amino]ethanethioamide
CID 61414221

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide?
The IUPAC name of 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide (CID 115934261) is 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide.
What is the SMILES notation for 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide?
The canonical SMILES for 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide is Cc1cccc(CN(C)c2c(N)cccc2C(N)=O)c1.
What is the InChIKey of 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide?
The InChIKey is OUEFVLPPYDJETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-11-5-3-6-12(9-11)10-19(2)15-13(16(18)20)7-4-8-14(15)17/h3-9H,10,17H2,1-2H3,(H2,18,20).
What are the key properties of 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide?
3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide has a molecular weight of 269.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[methyl-[(3-methylphenyl)methyl]amino]benzamide is sourced from PubChem (CID 115934261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).