4-[(3-amino-N-methylanilino)methyl]benzamide

C15H17N3O — CID 61295633

IUPAC4-[(3-amino-N-methylanilino)methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)c1cccc(N)c1
InChIInChI=1S/C15H17N3O/c1-18(14-4-2-3-13(16)9-14)10-11-5-7-12(8-6-11)15(17)19/h2-9H,10,16H2,1H3,(H2,17,19)
InChIKeyCOXGWHVOHOSLBL-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.00
Rot. Bonds4

About 4-[(3-amino-N-methylanilino)methyl]benzamide

4-[(3-amino-N-methylanilino)methyl]benzamide (PubChem CID 61295633) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-[(3-amino-N-methylanilino)methyl]benzamide.

Molecular Properties

Compound Name4-[(3-amino-N-methylanilino)methyl]benzamide
PubChem CID61295633
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-[(3-amino-N-methylanilino)methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)c1cccc(N)c1
InChIInChI=1S/C15H17N3O/c1-18(14-4-2-3-13(16)9-14)10-11-5-7-12(8-6-11)15(17)19/h2-9H,10,16H2,1H3,(H2,17,19)
InChIKeyCOXGWHVOHOSLBL-UHFFFAOYSA-N
XLogP2.00
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
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

4-[(3-hydroxy-N-methylanilino)methyl]benzoic acid
CID 107736702
N-(3-aminophenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 39357021
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
4-[(3-aminophenyl)methyl-propylamino]benzamide
CID 60877204
4-[[(4-aminobenzoyl)-methylamino]methyl]benzamide
CID 60940099
N-[(4-aminophenyl)methyl]-3-chloro-N-methylaniline
CID 39349545
4-[(4-aminophenyl)methyl-methylamino]-2-bromobenzamide
CID 107281144
4-[(3-cyano-N-methylanilino)methyl]benzoic acid
CID 62981168
3-N-methyl-3-N-(pyrimidin-2-ylmethyl)benzene-1,3-diamine
CID 62698436
4-[(4-amino-N-ethylanilino)methyl]benzamide
CID 63233885
4-[(3-methyl-N-methylsulfonylanilino)methyl]benzamide
CID 41493280
2-[(3-aminophenyl)methyl-methylamino]-6-bromobenzamide
CID 114887491

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-N-methylanilino)methyl]benzamide?
The IUPAC name of 4-[(3-amino-N-methylanilino)methyl]benzamide (CID 61295633) is 4-[(3-amino-N-methylanilino)methyl]benzamide.
What is the SMILES notation for 4-[(3-amino-N-methylanilino)methyl]benzamide?
The canonical SMILES for 4-[(3-amino-N-methylanilino)methyl]benzamide is CN(Cc1ccc(C(N)=O)cc1)c1cccc(N)c1.
What is the InChIKey of 4-[(3-amino-N-methylanilino)methyl]benzamide?
The InChIKey is COXGWHVOHOSLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-18(14-4-2-3-13(16)9-14)10-11-5-7-12(8-6-11)15(17)19/h2-9H,10,16H2,1H3,(H2,17,19).
What are the key properties of 4-[(3-amino-N-methylanilino)methyl]benzamide?
4-[(3-amino-N-methylanilino)methyl]benzamide has a molecular weight of 255.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-N-methylanilino)methyl]benzamide is sourced from PubChem (CID 61295633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).