N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide

C17H20N2O — CID 62103960

IUPACN-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc(CN)ccc2C)cc1
InChIInChI=1S/C17H20N2O/c1-3-13-6-8-15(9-7-13)17(20)19-16-10-14(11-18)5-4-12(16)2/h4-10H,3,11,18H2,1-2H3,(H,19,20)
InChIKeySMDYRZBRKZERLC-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.27
Rot. Bonds4

About N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide

N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide (PubChem CID 62103960) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide.

Molecular Properties

Compound NameN-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
PubChem CID62103960
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide
SMILESCCc1ccc(C(=O)Nc2cc(CN)ccc2C)cc1
InChIInChI=1S/C17H20N2O/c1-3-13-6-8-15(9-7-13)17(20)19-16-10-14(11-18)5-4-12(16)2/h4-10H,3,11,18H2,1-2H3,(H,19,20)
InChIKeySMDYRZBRKZERLC-UHFFFAOYSA-N
XLogP3.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-(aminomethyl)-2-methylphenyl]-3-hydroxy-4-methylbenzamide
CID 62105051
N-[5-(aminomethyl)-2-methylphenyl]-3,5-difluorobenzamide
CID 62104670
N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
CID 62104316
4-(aminomethyl)-N-(2,4,5-trimethylphenyl)benzamide
CID 115161218
4-ethyl-N-(2-methyl-5-nitrophenyl)benzamide
CID 17102238
N-[5-(aminomethyl)-2-methylphenyl]-2,4,6-trimethylbenzamide
CID 62103226
N-[3-(aminomethyl)phenyl]-4-ethylbenzamide
CID 18072148
N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea
CID 62104342
N-(2-amino-5-chloro-4-methylphenyl)-4-ethylbenzamide
CID 91687295
N-(4-amino-2,6-dimethylphenyl)-4-ethylbenzamide
CID 50880299
4-(aminomethyl)-N-(2-ethylphenyl)benzamide
CID 16782121

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide?
The IUPAC name of N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide (CID 62103960) is N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide.
What is the SMILES notation for N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide?
The canonical SMILES for N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cc(CN)ccc2C)cc1.
What is the InChIKey of N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide?
The InChIKey is SMDYRZBRKZERLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-3-13-6-8-15(9-7-13)17(20)19-16-10-14(11-18)5-4-12(16)2/h4-10H,3,11,18H2,1-2H3,(H,19,20).
What are the key properties of N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide?
N-[5-(aminomethyl)-2-methylphenyl]-4-ethylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 3.27, 4 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]-4-ethylbenzamide is sourced from PubChem (CID 62103960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).