2-(aminomethyl)-N-methoxy-N-methylbenzamide

C10H14N2O2 — CID 82505220

IUPAC2-(aminomethyl)-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccccc1CN
InChIInChI=1S/C10H14N2O2/c1-12(14-2)10(13)9-6-4-3-5-8(9)7-11/h3-6H,7,11H2,1-2H3
InChIKeyOOXDIPQJNSXDDZ-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.78
Rot. Bonds3

About 2-(aminomethyl)-N-methoxy-N-methylbenzamide

2-(aminomethyl)-N-methoxy-N-methylbenzamide (PubChem CID 82505220) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methoxy-N-methylbenzamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-methoxy-N-methylbenzamide
PubChem CID82505220
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(aminomethyl)-N-methoxy-N-methylbenzamide
SMILESCON(C)C(=O)c1ccccc1CN
InChIInChI=1S/C10H14N2O2/c1-12(14-2)10(13)9-6-4-3-5-8(9)7-11/h3-6H,7,11H2,1-2H3
InChIKeyOOXDIPQJNSXDDZ-UHFFFAOYSA-N
XLogP0.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-N-methyl-2-[2-(methylamino)ethyl]benzamide
CID 104547715
2-bromo-N-methoxy-N-methylbenzamide
CID 46318655
1-N,4-N-dimethoxy-1-N,4-N-dimethylnaphthalene-1,4-dicarboxamide
CID 71406304
2-hydroxybenzoic acid;2-hydroxy-N-methoxy-N-methylbenzamide
CID 158439697
N-methoxy-N-methylindolizine-1-carboxamide
CID 102037837
3-amino-2-hydroxy-N-methoxy-N-methylbenzamide
CID 58735961
methyl 4-[[2-(aminomethyl)benzoyl]amino]butanoate
CID 82546914
N-methoxy-N-methyl-2-prop-2-enoxybenzamide
CID 60735297
2-(aminomethyl)benzoyl chloride
CID 82503183
2-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-methoxy-N-methylbenzamide
CID 78776162
2-[[2-(aminomethyl)benzoyl]amino]acetic acid
CID 57129733
ethyl 2-[2-(aminomethyl)phenyl]-2-oxoacetate
CID 174607647

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methoxy-N-methylbenzamide?
The IUPAC name of 2-(aminomethyl)-N-methoxy-N-methylbenzamide (CID 82505220) is 2-(aminomethyl)-N-methoxy-N-methylbenzamide.
What is the SMILES notation for 2-(aminomethyl)-N-methoxy-N-methylbenzamide?
The canonical SMILES for 2-(aminomethyl)-N-methoxy-N-methylbenzamide is CON(C)C(=O)c1ccccc1CN.
What is the InChIKey of 2-(aminomethyl)-N-methoxy-N-methylbenzamide?
The InChIKey is OOXDIPQJNSXDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-12(14-2)10(13)9-6-4-3-5-8(9)7-11/h3-6H,7,11H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-methoxy-N-methylbenzamide?
2-(aminomethyl)-N-methoxy-N-methylbenzamide has a molecular weight of 194.23 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methoxy-N-methylbenzamide is sourced from PubChem (CID 82505220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).