3-(aminomethyl)-N-methylbenzamide;ethane

C11H18N2O — CID 143416429

IUPAC3-(aminomethyl)-N-methylbenzamide;ethane
SMILESCC.CNC(=O)c1cccc(CN)c1
InChIInChI=1S/C9H12N2O.C2H6/c1-11-9(12)8-4-2-3-7(5-8)6-10;1-2/h2-5H,6,10H2,1H3,(H,11,12);1-2H3
InChIKeyXFPBVLGDJDFVIR-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.53
Rot. Bonds2

About 3-(aminomethyl)-N-methylbenzamide;ethane

3-(aminomethyl)-N-methylbenzamide;ethane (PubChem CID 143416429) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methylbenzamide;ethane.

Molecular Properties

Compound Name3-(aminomethyl)-N-methylbenzamide;ethane
PubChem CID143416429
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(aminomethyl)-N-methylbenzamide;ethane
SMILESCC.CNC(=O)c1cccc(CN)c1
InChIInChI=1S/C9H12N2O.C2H6/c1-11-9(12)8-4-2-3-7(5-8)6-10;1-2/h2-5H,6,10H2,1H3,(H,11,12);1-2H3
InChIKeyXFPBVLGDJDFVIR-UHFFFAOYSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-N-methylbenzamide
CID 59115297
3-(aminomethyl)-N-ethylbenzamide
CID 16777664
3-(cyanomethyl)-N-methylbenzamide
CID 69441046
3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
methyl 3-(aminomethyl)benzoate;molecular hydrogen
CID 144769732
3-[(ethenylamino)methyl]-N-methylbenzamide
CID 156799319
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
3-(aminomethyl)-N-(2,6-difluorophenyl)benzamide
CID 28974181
3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide
CID 55261527
3-(isothiocyanatomethyl)-N-methylbenzamide
CID 16664203
ethyl 3-(aminomethyl)benzoate
CID 15079215
3-(aminomethyl)-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 61240501

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methylbenzamide;ethane?
The IUPAC name of 3-(aminomethyl)-N-methylbenzamide;ethane (CID 143416429) is 3-(aminomethyl)-N-methylbenzamide;ethane.
What is the SMILES notation for 3-(aminomethyl)-N-methylbenzamide;ethane?
The canonical SMILES for 3-(aminomethyl)-N-methylbenzamide;ethane is CC.CNC(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-methylbenzamide;ethane?
The InChIKey is XFPBVLGDJDFVIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O.C2H6/c1-11-9(12)8-4-2-3-7(5-8)6-10;1-2/h2-5H,6,10H2,1H3,(H,11,12);1-2H3.
What are the key properties of 3-(aminomethyl)-N-methylbenzamide;ethane?
3-(aminomethyl)-N-methylbenzamide;ethane has a molecular weight of 194.28 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methylbenzamide;ethane is sourced from PubChem (CID 143416429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).