N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide

C18H22N2O — CID 62103226

IUPACN-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cc(CN)ccc2C)c(C)c1
InChIInChI=1S/C18H22N2O/c1-11-7-13(3)17(14(4)8-11)18(21)20-16-9-15(10-19)6-5-12(16)2/h5-9H,10,19H2,1-4H3,(H,20,21)
InChIKeyTVLUZCDVFJAOQC-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.63
Rot. Bonds3

About N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide

N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide (PubChem CID 62103226) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide
PubChem CID62103226
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC NameN-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide
SMILESCc1cc(C)c(C(=O)Nc2cc(CN)ccc2C)c(C)c1
InChIInChI=1S/C18H22N2O/c1-11-7-13(3)17(14(4)8-11)18(21)20-16-9-15(10-19)6-5-12(16)2/h5-9H,10,19H2,1-4H3,(H,20,21)
InChIKeyTVLUZCDVFJAOQC-UHFFFAOYSA-N
XLogP3.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960
N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide
CID 62104670
N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide
CID 62105051
N-(5-chloro-2-methylphenyl)-2,4,6-trimethylbenzamide
CID 675121
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-5-methylbenzamide
CID 62505777
N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
CID 62104316
1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea
CID 62104342
methyl 4-methyl-3-[(2,4,6-trimethylbenzoyl)amino]benzoate
CID 9439805
N-[5-(aminomethyl)-2-methylphenyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475489
N-[5-(aminomethyl)-2-methylphenyl]-4-methylpentanamide
CID 62104870
N-[5-(aminomethyl)-2-methylphenyl]-2-methoxy-2-methylpropanamide
CID 103017435
N-(4-amino-2,5-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 103144421

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide?
The IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide (CID 62103226) is N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide is Cc1cc(C)c(C(=O)Nc2cc(CN)ccc2C)c(C)c1.
What is the InChIKey of N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide?
The InChIKey is TVLUZCDVFJAOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/c1-11-7-13(3)17(14(4)8-11)18(21)20-16-9-15(10-19)6-5-12(16)2/h5-9H,10,19H2,1-4H3,(H,20,21).
What are the key properties of N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide?
N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide has a molecular weight of 282.39 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide is sourced from PubChem (CID 62103226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).