4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide

C18H22N2O — CID 43587256

IUPAC4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCCN(Cc1ccccc1C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C18H22N2O/c1-3-20(13-17-7-5-4-6-14(17)2)18(21)16-10-8-15(12-19)9-11-16/h4-11H,3,12-13,19H2,1-2H3
InChIKeyYCZBGJPAJRQYPT-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.12
Rot. Bonds5

About 4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide

4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide (PubChem CID 43587256) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide
PubChem CID43587256
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide
SMILESCCN(Cc1ccccc1C)C(=O)c1ccc(CN)cc1
InChIInChI=1S/C18H22N2O/c1-3-20(13-17-7-5-4-6-14(17)2)18(21)16-10-8-15(12-19)9-11-16/h4-11H,3,12-13,19H2,1-2H3
InChIKeyYCZBGJPAJRQYPT-UHFFFAOYSA-N
XLogP3.12
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(aminomethyl)phenyl]methyl]-N-ethylpyridine-4-carboxamide
CID 60923256
4-(aminomethyl)-N-ethyl-N-(2-hydroxy-2-methylpropyl)benzamide
CID 79384782
N-benzyl-4-carbamothioyl-N-ethylbenzamide
CID 28983877
N-[(2-aminophenyl)methyl]-4-bromo-N-ethylbenzamide
CID 43459287
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-5-methylfuran-3-carboxamide
CID 114818487
N-ethyl-5-(methoxymethyl)-N-[(2-methylphenyl)methyl]furan-2-carboxamide
CID 78852716
N-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylbenzamide
CID 123310577
N-[(4-aminophenyl)methyl]-N-ethyl-4-methylbenzamide
CID 43458748
4-amino-N-[(2-cyanophenyl)methyl]-N-ethylbenzamide
CID 60962959
N-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60506788
N-ethyl-2-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 112817397
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methylpyridine-4-carboxamide
CID 106752308

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide (CID 43587256) is 4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide is CCN(Cc1ccccc1C)C(=O)c1ccc(CN)cc1.
What is the InChIKey of 4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide?
The InChIKey is YCZBGJPAJRQYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-3-20(13-17-7-5-4-6-14(17)2)18(21)16-10-8-15(12-19)9-11-16/h4-11H,3,12-13,19H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide?
4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide is sourced from PubChem (CID 43587256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).