2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide

C11H17N3O — CID 43248742

IUPAC2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1cccc(CN)c1
InChIInChI=1S/C11H17N3O/c1-14(8-11(13)15)7-10-4-2-3-9(5-10)6-12/h2-5H,6-8,12H2,1H3,(H2,13,15)
InChIKeyIPQHKSAIGMGBGN-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.06
Rot. Bonds5

About 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide

2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide (PubChem CID 43248742) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide.

Molecular Properties

Compound Name2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide
PubChem CID43248742
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide
SMILESCN(CC(N)=O)Cc1cccc(CN)c1
InChIInChI=1S/C11H17N3O/c1-14(8-11(13)15)7-10-4-2-3-9(5-10)6-12/h2-5H,6-8,12H2,1H3,(H2,13,15)
InChIKeyIPQHKSAIGMGBGN-UHFFFAOYSA-N
XLogP0.06
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetate
CID 63380673
2-[[4-(aminomethyl)-2-fluorophenyl]methyl-methylamino]acetamide
CID 43373913
2-[[3-(aminomethyl)phenyl]methyl-methylamino]-N-cyclohexylacetamide
CID 43248801
N-[[3-(aminomethyl)phenyl]methyl]-N,2-dimethylpropanamide
CID 43248598
N-[[3-(aminomethyl)phenyl]methyl]-N,2,2-trimethylpropanamide
CID 43248602
2-[[3-(aminomethyl)phenyl]sulfonyl-methylamino]acetamide
CID 43374208
N-[[3-(aminomethyl)phenyl]methyl]-4-fluoro-N-methylbenzamide
CID 43248673
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
2-[4-(aminomethyl)-N,2-dimethylanilino]acetamide
CID 60930505
N-[[3-(aminomethyl)phenyl]methyl]-N,3-dimethylbutanamide
CID 43248665
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-2-propoxyethanamine
CID 106450820
[3-[[methyl(pyridin-3-ylmethyl)amino]methyl]phenyl]methanamine
CID 43248750

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide?
The IUPAC name of 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide (CID 43248742) is 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide.
What is the SMILES notation for 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide?
The canonical SMILES for 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide is CN(CC(N)=O)Cc1cccc(CN)c1.
What is the InChIKey of 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide?
The InChIKey is IPQHKSAIGMGBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-14(8-11(13)15)7-10-4-2-3-9(5-10)6-12/h2-5H,6-8,12H2,1H3,(H2,13,15).
What are the key properties of 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide?
2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide has a molecular weight of 207.28 g/mol, XLogP of 0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(aminomethyl)phenyl]methyl-methylamino]acetamide is sourced from PubChem (CID 43248742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).