4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide

C17H20N2O — CID 115161218

IUPAC4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(CN)cc2)cc1C
InChIInChI=1S/C17H20N2O/c1-11-8-13(3)16(9-12(11)2)19-17(20)15-6-4-14(10-18)5-7-15/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeyMPJSTMLBVPZLJQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.32
Rot. Bonds3

About 4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide

4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide (PubChem CID 115161218) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide
PubChem CID115161218
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(CN)cc2)cc1C
InChIInChI=1S/C17H20N2O/c1-11-8-13(3)16(9-12(11)2)19-17(20)15-6-4-14(10-18)5-7-15/h4-9H,10,18H2,1-3H3,(H,19,20)
InChIKeyMPJSTMLBVPZLJQ-UHFFFAOYSA-N
XLogP3.32
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
CID 62103960
4-(aminomethyl)-N-(4-methyl-3-pyridinyl)benzamide
CID 63326435
N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide
CID 62105051
4-(aminomethyl)-N-(2-bromo-5-chloro-4-methylphenyl)benzamide
CID 104723637
N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121
N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide
CID 62104670
N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
CID 62104316
4-(aminomethyl)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 103796977
N-(5-amino-2,4-dimethylphenyl)-4-hydroxybenzamide
CID 104757000
4-(aminomethyl)-N-(4-chloro-2-iodophenyl)benzamide
CID 107625383
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide?
The IUPAC name of 4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide (CID 115161218) is 4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide?
The canonical SMILES for 4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide is Cc1cc(C)c(NC(=O)c2ccc(CN)cc2)cc1C.
What is the InChIKey of 4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide?
The InChIKey is MPJSTMLBVPZLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-8-13(3)16(9-12(11)2)19-17(20)15-6-4-14(10-18)5-7-15/h4-9H,10,18H2,1-3H3,(H,19,20).
What are the key properties of 4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide?
4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide has a molecular weight of 268.36 g/mol, XLogP of 3.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide is sourced from PubChem (CID 115161218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).