4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide

C16H19N3O — CID 43458582

IUPAC4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)Cc1ccccc1N
InChIInChI=1S/C16H19N3O/c1-19(11-14-4-2-3-5-15(14)17)10-12-6-8-13(9-7-12)16(18)20/h2-9H,10-11,17H2,1H3,(H2,18,20)
InChIKeyYNIBXMADOPJFEI-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.00
Rot. Bonds5

About 4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide

4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide (PubChem CID 43458582) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide.

Molecular Properties

Compound Name4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide
PubChem CID43458582
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide
SMILESCN(Cc1ccc(C(N)=O)cc1)Cc1ccccc1N
InChIInChI=1S/C16H19N3O/c1-19(11-14-4-2-3-5-15(14)17)10-12-6-8-13(9-7-12)16(18)20/h2-9H,10-11,17H2,1H3,(H2,18,20)
InChIKeyYNIBXMADOPJFEI-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

4-[[(2-aminophenyl)methyl-methylamino]methyl]-3-fluorobenzamide
CID 43458579
4-[[(4-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 47129744
2-[[methyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 43458561
3-amino-4-[[(3-fluorophenyl)methyl-methylamino]methyl]benzamide
CID 43375822
4-[(2-aminophenyl)methyl-methylamino]-3-fluorobenzamide
CID 60869436
4-[[(2-fluorophenyl)methyl-methylamino]methyl]benzohydrazide
CID 63583693
2-[[methyl(2-phenylethyl)amino]methyl]aniline
CID 23507547
2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
CID 43374465
2-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383822
4-[(4-carbamoylphenyl)methyl-methylamino]butanoic acid
CID 55005830
2-amino-6-[[(4-bromophenyl)methyl-methylamino]methyl]benzoic acid
CID 104824428
methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate
CID 60646503

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide?
The IUPAC name of 4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide (CID 43458582) is 4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide.
What is the SMILES notation for 4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide?
The canonical SMILES for 4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide is CN(Cc1ccc(C(N)=O)cc1)Cc1ccccc1N.
What is the InChIKey of 4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide?
The InChIKey is YNIBXMADOPJFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-19(11-14-4-2-3-5-15(14)17)10-12-6-8-13(9-7-12)16(18)20/h2-9H,10-11,17H2,1H3,(H2,18,20).
What are the key properties of 4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide?
4-[[(2-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 4-[[(2-aminophenyl)methyl-methylamino]methyl]benzamide is sourced from PubChem (CID 43458582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).