2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide

C12H19N3O — CID 60672644

IUPAC2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)CN
InChIInChI=1S/C12H19N3O/c1-14(2)11-6-4-10(5-7-11)9-15(3)12(16)8-13/h4-7H,8-9,13H2,1-3H3
InChIKeyMLXDYWXGXFKKFU-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.67
Rot. Bonds4

About 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide

2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide (PubChem CID 60672644) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
PubChem CID60672644
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)CN
InChIInChI=1S/C12H19N3O/c1-14(2)11-6-4-10(5-7-11)9-15(3)12(16)8-13/h4-7H,8-9,13H2,1-3H3
InChIKeyMLXDYWXGXFKKFU-UHFFFAOYSA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[[3-[4-(dimethylamino)phenyl]phenyl]methyl]-N-methylacetamide;oxalic acid
CID 134137520
5-[[4-(dimethylamino)phenyl]methyl-methylamino]-5-oxopentanoic acid
CID 60953988
2-[1-(aminomethyl)cyclobutyl]-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 81173080
2-(1-aminocyclobutyl)-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide
CID 79853909
N-[[4-(dimethylamino)phenyl]methyl]-2,2,2-trifluoro-N-methylacetamide
CID 62492005
[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8845193
(2R)-2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N,3-dimethylbutanamide
CID 79013489
N-[[4-(dimethylamino)phenyl]methyl]-2-(1-hydroxycyclopentyl)-N-methylacetamide
CID 111430281
N-[[4-(dimethylamino)phenyl]methyl]-2-ethyl-N-methylbutanamide
CID 78801142
1,3-bis[[4-(dimethylamino)phenyl]methyl]-1-methylurea
CID 38949413
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-4-(4-methylphenyl)-4-oxobutanamide
CID 78801197
2-O-[2-[[4-(dimethylamino)phenyl]methyl-methylamino]-2-oxoethyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504869

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide?
The IUPAC name of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide (CID 60672644) is 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide?
The canonical SMILES for 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide is CN(Cc1ccc(N(C)C)cc1)C(=O)CN.
What is the InChIKey of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide?
The InChIKey is MLXDYWXGXFKKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-14(2)11-6-4-10(5-7-11)9-15(3)12(16)8-13/h4-7H,8-9,13H2,1-3H3.
What are the key properties of 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide?
2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide has a molecular weight of 221.30 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(dimethylamino)phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 60672644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).