4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide

C12H18N2O2 — CID 61040721

IUPAC4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide
SMILESCOCCN(C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C12H18N2O2/c1-14(7-8-16-2)12(15)11-5-3-10(9-13)4-6-11/h3-6H,7-9,13H2,1-2H3
InChIKeyJEKXGNZRHQJWIQ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.86
Rot. Bonds5

About 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide

4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide (PubChem CID 61040721) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide
PubChem CID61040721
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide
SMILESCOCCN(C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C12H18N2O2/c1-14(7-8-16-2)12(15)11-5-3-10(9-13)4-6-11/h3-6H,7-9,13H2,1-2H3
InChIKeyJEKXGNZRHQJWIQ-UHFFFAOYSA-N
XLogP0.86
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 60953453
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide
CID 115734604
4-amino-N-(3-methoxypropyl)-N-methylbenzamide;hydrochloride
CID 119754957
(E)-3-[4-[2-methoxyethyl(methyl)carbamoyl]phenyl]prop-2-enoic acid
CID 109375254
4-(aminomethyl)-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119298341
4-(aminomethyl)-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 60940281
3-iodo-N-(2-methoxyethyl)-N-methylbenzamide
CID 61072173
4-(aminomethyl)-N-(2,2-difluoroethyl)-N-methylbenzamide;hydrochloride
CID 119305712
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide
CID 78794092
3-(3-aminoprop-1-ynyl)-N-(2-methoxyethyl)-N,4-dimethylbenzamide
CID 81476949
3-amino-4-ethoxy-N-(2-methoxyethyl)-N-methylbenzamide
CID 61127519

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide (CID 61040721) is 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide is COCCN(C)C(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide?
The InChIKey is JEKXGNZRHQJWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14(7-8-16-2)12(15)11-5-3-10(9-13)4-6-11/h3-6H,7-9,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide?
4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide has a molecular weight of 222.29 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyethyl)-N-methylbenzamide is sourced from PubChem (CID 61040721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).