2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide

C13H21N3O — CID 43457988

IUPAC2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN(C)Cc1cccc(N)c1
InChIInChI=1S/C13H21N3O/c1-4-16(3)13(17)10-15(2)9-11-6-5-7-12(14)8-11/h5-8H,4,9-10,14H2,1-3H3
InChIKeyIYTIQNGDFDEUCO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.18
Rot. Bonds5

About 2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide

2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide (PubChem CID 43457988) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide
PubChem CID43457988
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide
SMILESCCN(C)C(=O)CN(C)Cc1cccc(N)c1
InChIInChI=1S/C13H21N3O/c1-4-16(3)13(17)10-15(2)9-11-6-5-7-12(14)8-11/h5-8H,4,9-10,14H2,1-3H3
InChIKeyIYTIQNGDFDEUCO-UHFFFAOYSA-N
XLogP1.18
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(3-aminophenyl)methyl]-N-methylacetamide
CID 28819680
2-[(3-aminophenyl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 43383734
3-[[(3-aminophenyl)methyl-methylamino]methyl]benzamide
CID 43457958
3-[[methyl-[(3-methylphenyl)methyl]amino]methyl]aniline
CID 43383732
3-[(3-aminophenyl)methyl-methylamino]-N-ethylpropanamide
CID 62325163
3-[(3-aminophenyl)methyl-methylamino]-N-methylpropanamide
CID 62325164
2-[(3-aminophenyl)methyl-[2-(diethylamino)-2-oxoethyl]amino]acetamide
CID 43461228
2-[(3-bromophenyl)methyl-methylamino]-N,N-diethylacetamide
CID 60694428
3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542
N-[(3-aminophenyl)methyl]-N-ethyl-3-methylbutanamide
CID 43459012
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
2-[(3-aminophenyl)methyl-(carboxymethyl)amino]acetic acid
CID 21460485

Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide (CID 43457988) is 2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide is CCN(C)C(=O)CN(C)Cc1cccc(N)c1.
What is the InChIKey of 2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide?
The InChIKey is IYTIQNGDFDEUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-4-16(3)13(17)10-15(2)9-11-6-5-7-12(14)8-11/h5-8H,4,9-10,14H2,1-3H3.
What are the key properties of 2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide?
2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide has a molecular weight of 235.33 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-methylamino]-N-ethyl-N-methylacetamide is sourced from PubChem (CID 43457988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).