3-amino-4-(diethylaminomethyl)benzamide

C12H19N3O — CID 43375439

IUPAC3-amino-4-(diethylaminomethyl)benzamide
SMILESCCN(CC)Cc1ccc(C(N)=O)cc1N
InChIInChI=1S/C12H19N3O/c1-3-15(4-2)8-10-6-5-9(12(14)16)7-11(10)13/h5-7H,3-4,8,13H2,1-2H3,(H2,14,16)
InChIKeyGFENATWWAPWQPR-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.21
Rot. Bonds5

About 3-amino-4-(diethylaminomethyl)benzamide

3-amino-4-(diethylaminomethyl)benzamide (PubChem CID 43375439) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-amino-4-(diethylaminomethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-(diethylaminomethyl)benzamide
PubChem CID43375439
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-amino-4-(diethylaminomethyl)benzamide
SMILESCCN(CC)Cc1ccc(C(N)=O)cc1N
InChIInChI=1S/C12H19N3O/c1-3-15(4-2)8-10-6-5-9(12(14)16)7-11(10)13/h5-7H,3-4,8,13H2,1-2H3,(H2,14,16)
InChIKeyGFENATWWAPWQPR-UHFFFAOYSA-N
XLogP1.21
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.21
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

3-amino-4-[[ethyl(2-ethylbutyl)amino]methyl]benzamide
CID 43587416
3-amino-4-ethylbenzamide
CID 19977641
3-amino-4-[[cyclobutylmethyl(ethyl)amino]methyl]benzamide
CID 107397403
3-amino-4-[[methyl(pentyl)amino]methyl]benzamide
CID 43376020
3-amino-4-[[benzyl(ethyl)amino]methyl]benzoic acid
CID 82165856
3-amino-4-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]benzamide
CID 43376086
3-amino-4-[[2-ethoxyethyl(methyl)amino]methyl]benzamide
CID 81052658
3-amino-4-[(dipropylamino)methyl]benzoic acid
CID 82165849
4-[[ethyl(2-hydroxyethyl)amino]methyl]-3-fluorobenzamide
CID 62021395
3-amino-4-[[methyl-[2-(methylamino)-2-oxoethyl]amino]methyl]benzamide
CID 43376075
3-chloro-4-[[ethyl(2-hydroxyethyl)amino]methyl]benzamide
CID 102669675
methyl 3-amino-4-[[benzyl(ethyl)amino]methyl]benzoate
CID 82165879

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(diethylaminomethyl)benzamide?
The IUPAC name of 3-amino-4-(diethylaminomethyl)benzamide (CID 43375439) is 3-amino-4-(diethylaminomethyl)benzamide.
What is the SMILES notation for 3-amino-4-(diethylaminomethyl)benzamide?
The canonical SMILES for 3-amino-4-(diethylaminomethyl)benzamide is CCN(CC)Cc1ccc(C(N)=O)cc1N.
What is the InChIKey of 3-amino-4-(diethylaminomethyl)benzamide?
The InChIKey is GFENATWWAPWQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-15(4-2)8-10-6-5-9(12(14)16)7-11(10)13/h5-7H,3-4,8,13H2,1-2H3,(H2,14,16).
What are the key properties of 3-amino-4-(diethylaminomethyl)benzamide?
3-amino-4-(diethylaminomethyl)benzamide has a molecular weight of 221.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(diethylaminomethyl)benzamide is sourced from PubChem (CID 43375439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).