3-(aminomethyl)-N-ethylbenzamide

C10H14N2O — CID 16777664

IUPAC3-(aminomethyl)-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CN)c1
InChIInChI=1S/C10H14N2O/c1-2-12-10(13)9-5-3-4-8(6-9)7-11/h3-6H,2,7,11H2,1H3,(H,12,13)
InChIKeyQAIICLBYCCVBEF-UHFFFAOYSA-N
MW178.23 g/mol
LogP0.89
Rot. Bonds3

About 3-(aminomethyl)-N-ethylbenzamide

3-(aminomethyl)-N-ethylbenzamide (PubChem CID 16777664) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethylbenzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethylbenzamide
PubChem CID16777664
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name3-(aminomethyl)-N-ethylbenzamide
SMILESCCNC(=O)c1cccc(CN)c1
InChIInChI=1S/C10H14N2O/c1-2-12-10(13)9-5-3-4-8(6-9)7-11/h3-6H,2,7,11H2,1H3,(H,12,13)
InChIKeyQAIICLBYCCVBEF-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(aminomethyl)-N-methylbenzamide;ethane
CID 143416429
N-ethyl-3-(methylsulfanylmethyl)benzamide
CID 60667675
3-(aminomethyl)-N-butan-2-ylbenzamide
CID 16778307
3-(aminomethyl)-N-(2-pyrazol-1-ylethyl)benzamide
CID 54951124
3-N-[[4-[[[3-(benzylcarbamoyl)benzoyl]amino]methyl]phenyl]methyl]-1-N-ethylbenzene-1,3-dicarboxamide
CID 176788614
N-ethyl-3-hydroxybenzamide
CID 13175248
3-[[(1-aminocyclopropanecarbonyl)amino]methyl]-N-ethylbenzamide
CID 119734803
3-(aminomethyl)-N-(3-ethylpentan-2-yl)benzamide
CID 55261527
3-(aminomethyl)-N-(2,2,4-trimethylpentyl)benzamide
CID 115161209
N-[2-(ethylamino)-2-oxoethyl]-3-propylbenzamide
CID 71109879
3-(aminomethyl)-N-[(3,4-dimethoxyphenyl)methyl]benzamide
CID 82545918
3-(aminomethyl)-N-[(2-fluorophenyl)methyl]benzamide
CID 18070244

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethylbenzamide?
The IUPAC name of 3-(aminomethyl)-N-ethylbenzamide (CID 16777664) is 3-(aminomethyl)-N-ethylbenzamide.
What is the SMILES notation for 3-(aminomethyl)-N-ethylbenzamide?
The canonical SMILES for 3-(aminomethyl)-N-ethylbenzamide is CCNC(=O)c1cccc(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-ethylbenzamide?
The InChIKey is QAIICLBYCCVBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-12-10(13)9-5-3-4-8(6-9)7-11/h3-6H,2,7,11H2,1H3,(H,12,13).
What are the key properties of 3-(aminomethyl)-N-ethylbenzamide?
3-(aminomethyl)-N-ethylbenzamide has a molecular weight of 178.23 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethylbenzamide is sourced from PubChem (CID 16777664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).