N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide

C17H20N2O — CID 62302184

IUPACN-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CCN)cc2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-12-3-8-16(13(2)11-12)17(20)19-15-6-4-14(5-7-15)9-10-18/h3-8,11H,9-10,18H2,1-2H3,(H,19,20)
InChIKeySVECNTXWMBMMOS-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.06
Rot. Bonds4

About N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide

N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide (PubChem CID 62302184) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide
PubChem CID62302184
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CCN)cc2)c(C)c1
InChIInChI=1S/C17H20N2O/c1-12-3-8-16(13(2)11-12)17(20)19-15-6-4-14(5-7-15)9-10-18/h3-8,11H,9-10,18H2,1-2H3,(H,19,20)
InChIKeySVECNTXWMBMMOS-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide 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

2,4-dimethyl-N-(4-propylphenyl)benzamide
CID 42237293
N-[4-(2-aminoethyl)phenyl]-2-methylbenzamide
CID 28754496
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
N-(4-tert-butylphenyl)-2,4-dimethylbenzamide
CID 953234
4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide
CID 103865733
N-(3,5-dimethylphenyl)-2,4-dimethylbenzamide
CID 925377
N-[4-(3-aminopropyl)phenyl]-2-methylbenzamide
CID 28754642
N-[4-(2-aminoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 62301337
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2,4-dimethylbenzamide
CID 55664564
N-(4-butan-2-ylphenyl)-2,4-dimethylbenzamide
CID 4028729
N-[4-(2-aminoethyl)phenyl]-2-hydroxybenzamide
CID 62303022
N-[4-(2-amino-2-oxoethyl)phenyl]-4-fluoro-2-methylbenzamide
CID 115745419

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide (CID 62302184) is N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2ccc(CCN)cc2)c(C)c1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide?
The InChIKey is SVECNTXWMBMMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-3-8-16(13(2)11-12)17(20)19-15-6-4-14(5-7-15)9-10-18/h3-8,11H,9-10,18H2,1-2H3,(H,19,20).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide?
N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 62302184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).