3-(1-aminoethyl)-N,N-dimethylbenzamide

C11H16N2O — CID 70320648

IUPAC3-(1-aminoethyl)-N,N-dimethylbenzamide
SMILESCC(N)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C11H16N2O/c1-8(12)9-5-4-6-10(7-9)11(14)13(2)3/h4-8H,12H2,1-3H3
InChIKeyKWJVCRYUAKXPTJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.41
Rot. Bonds2

About 3-(1-aminoethyl)-N,N-dimethylbenzamide

3-(1-aminoethyl)-N,N-dimethylbenzamide (PubChem CID 70320648) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(1-aminoethyl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-(1-aminoethyl)-N,N-dimethylbenzamide
PubChem CID70320648
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(1-aminoethyl)-N,N-dimethylbenzamide
SMILESCC(N)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C11H16N2O/c1-8(12)9-5-4-6-10(7-9)11(14)13(2)3/h4-8H,12H2,1-3H3
InChIKeyKWJVCRYUAKXPTJ-UHFFFAOYSA-N
XLogP1.41
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(1-aminoethyl)-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-[(1S)-1-aminoethyl]benzoate;hydrochloride
CID 74889916
N,N-dimethyl-3-(1,2,4-trihydroxybutyl)benzamide
CID 171872999
N,N-dimethyl-3-(2-methylpropyl)benzamide
CID 59462491
3-[[[(2R)-2-aminopropanoyl]amino]methyl]-N,N-dimethylbenzamide;hydrochloride
CID 119287449
3-[(1R)-1-aminoethyl]-N'-hydroxybenzenecarboximidamide
CID 172793905
3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride
CID 119701572
4-[(R)-amino-(3-bromophenyl)methyl]-N,N-dimethylbenzamide
CID 129386216
N,N-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 134961348
N,N-dimethyl-3-(propan-2-yloxymethyl)benzamide
CID 140929179
3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide
CID 76887735
3-[(1R)-1-aminoethyl]-N,N-dimethylaniline;dihydrochloride
CID 53484765
N,N-dimethyl-3-(4-methylphenyl)benzamide
CID 121373381

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-N,N-dimethylbenzamide?
The IUPAC name of 3-(1-aminoethyl)-N,N-dimethylbenzamide (CID 70320648) is 3-(1-aminoethyl)-N,N-dimethylbenzamide.
What is the SMILES notation for 3-(1-aminoethyl)-N,N-dimethylbenzamide?
The canonical SMILES for 3-(1-aminoethyl)-N,N-dimethylbenzamide is CC(N)c1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-(1-aminoethyl)-N,N-dimethylbenzamide?
The InChIKey is KWJVCRYUAKXPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(12)9-5-4-6-10(7-9)11(14)13(2)3/h4-8H,12H2,1-3H3.
What are the key properties of 3-(1-aminoethyl)-N,N-dimethylbenzamide?
3-(1-aminoethyl)-N,N-dimethylbenzamide has a molecular weight of 192.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-N,N-dimethylbenzamide is sourced from PubChem (CID 70320648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).