2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide

C11H17N3O — CID 43374465

IUPAC2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)Cc1ccccc1N
InChIInChI=1S/C11H17N3O/c1-13-11(15)8-14(2)7-9-5-3-4-6-10(9)12/h3-6H,7-8,12H2,1-2H3,(H,13,15)
InChIKeyYUEYZSAFIOZYPM-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.45
Rot. Bonds4

About 2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide

2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide (PubChem CID 43374465) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
PubChem CID43374465
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide
SMILESCNC(=O)CN(C)Cc1ccccc1N
InChIInChI=1S/C11H17N3O/c1-13-11(15)8-14(2)7-9-5-3-4-6-10(9)12/h3-6H,7-8,12H2,1-2H3,(H,13,15)
InChIKeyYUEYZSAFIOZYPM-UHFFFAOYSA-N
XLogP0.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.45
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

2-[(2-aminophenyl)methyl-methylamino]-N-ethylacetamide
CID 43458547
2-[2-(2-aminophenyl)ethyl-methylamino]-N-methylacetamide
CID 62496408
2-[(2-aminophenyl)methyl-propan-2-ylamino]-N-methylacetamide
CID 43460418
2-[(2-aminophenyl)methyl-methylamino]-N-pentan-2-ylacetamide
CID 61490250
2-[(2-aminophenyl)methyl-methylamino]-N-(3-methylbutyl)acetamide
CID 61486734
3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide
CID 43376075
2-(2-aminophenyl)-N-methylacetamide
CID 16772909
2-[(2-cyanophenyl)methyl-methylamino]-N-methylacetamide
CID 43216435
2-[[2-(2-aminoanilino)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 43374525
2-[(2-aminophenyl)methyl-methylamino]-N-(3-bromophenyl)acetamide
CID 43458595
2-[(2-aminophenyl)methyl-methylamino]-N-(3-chlorophenyl)acetamide
CID 43458599
3-[(2-aminophenyl)methyl-propylamino]-N-methylpropanamide
CID 62324815

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide (CID 43374465) is 2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide is CNC(=O)CN(C)Cc1ccccc1N.
What is the InChIKey of 2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide?
The InChIKey is YUEYZSAFIOZYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-11(15)8-14(2)7-9-5-3-4-6-10(9)12/h3-6H,7-8,12H2,1-2H3,(H,13,15).
What are the key properties of 2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide?
2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide has a molecular weight of 207.28 g/mol, XLogP of 0.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminophenyl)methyl-methylamino]-N-methylacetamide is sourced from PubChem (CID 43374465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).