4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide

C18H22N2O — CID 119327103

IUPAC4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide
SMILESCc1cccc(C(C)NC(=O)c2ccc(CN)cc2)c1C
InChIInChI=1S/C18H22N2O/c1-12-5-4-6-17(13(12)2)14(3)20-18(21)16-9-7-15(11-19)8-10-16/h4-10,14H,11,19H2,1-3H3,(H,20,21)
InChIKeySLKASGNXNRNKLX-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.25
Rot. Bonds4

About 4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide

4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide (PubChem CID 119327103) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide
PubChem CID119327103
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide
SMILESCc1cccc(C(C)NC(=O)c2ccc(CN)cc2)c1C
InChIInChI=1S/C18H22N2O/c1-12-5-4-6-17(13(12)2)14(3)20-18(21)16-9-7-15(11-19)8-10-16/h4-10,14H,11,19H2,1-3H3,(H,20,21)
InChIKeySLKASGNXNRNKLX-UHFFFAOYSA-N
XLogP3.25
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-N-[2-methyl-1-(2-methylphenyl)propyl]benzamide;hydrochloride
CID 119323110
3-amino-N-[1-(2,3-dimethylphenyl)ethyl]propanamide
CID 83629596
4-(chloromethyl)-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 81375390
4-(aminomethyl)-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]benzamide;hydrochloride
CID 119287416
4-N-[1-(2-methylphenyl)ethyl]benzene-1,4-dicarboxamide
CID 51175514
4-(aminomethyl)-N-[1-(4-ethylphenyl)ethyl]benzamide;hydrochloride
CID 119269307
4-(aminomethyl)-N-[(2R)-butan-2-yl]benzamide
CID 30046782
4-(aminomethyl)-N-[(1R)-1-(3-fluorophenyl)ethyl]benzamide
CID 81366240
1-amino-N-[1-(2,3-dimethylphenyl)ethyl]cyclopropane-1-carboxamide;hydrochloride
CID 119789718
4-(2-aminoethyl)-N-[(1S)-1-(2-chlorophenyl)ethyl]benzamide
CID 81375650
4-(aminomethyl)-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 61464238
(2S)-2-amino-N-[1-(2,3-dimethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 119789746

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide?
The IUPAC name of 4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide (CID 119327103) is 4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide?
The canonical SMILES for 4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide is Cc1cccc(C(C)NC(=O)c2ccc(CN)cc2)c1C.
What is the InChIKey of 4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide?
The InChIKey is SLKASGNXNRNKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-12-5-4-6-17(13(12)2)14(3)20-18(21)16-9-7-15(11-19)8-10-16/h4-10,14H,11,19H2,1-3H3,(H,20,21).
What are the key properties of 4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide?
4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[1-(2,3-dimethylphenyl)ethyl]benzamide is sourced from PubChem (CID 119327103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).