N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide

C16H18N2O — CID 28754500

IUPACN-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CCN)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-12-2-6-14(7-3-12)16(19)18-15-8-4-13(5-9-15)10-11-17/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyVNCXYLLXMMCKQE-UHFFFAOYSA-N
MW254.33 g/mol
LogP2.75
Rot. Bonds4

About N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide

N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide (PubChem CID 28754500) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
PubChem CID28754500
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(CCN)cc2)cc1
InChIInChI=1S/C16H18N2O/c1-12-2-6-14(7-3-12)16(19)18-15-8-4-13(5-9-15)10-11-17/h2-9H,10-11,17H2,1H3,(H,18,19)
InChIKeyVNCXYLLXMMCKQE-UHFFFAOYSA-N
XLogP2.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide 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

4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
N-[4-(2-aminoethyl)phenyl]-2-(4-methylphenyl)acetamide
CID 62301337
N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide
CID 62302184
N-[4-(bromomethyl)phenyl]-4-methylbenzamide
CID 113274673
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N-[4-[3-(hydroxyamino)-3-oxopropyl]phenyl]-4-methylbenzamide
CID 58899047
N-[4-(2-hydrazinyl-2-oxoethyl)phenyl]-4-methylbenzamide
CID 100591745
4-N-[4-(2-aminoethyl)phenyl]-1-N-[2-(4-aminophenyl)ethyl]benzene-1,4-dicarboxamide
CID 170362896
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
1-N-[4-(2-aminoethyl)phenyl]-4-N-[4-[2-(diformylamino)ethyl]phenyl]benzene-1,4-dicarboxamide
CID 169262539
N-[4-[(dimethylamino)methyl]phenyl]-4-methylbenzamide
CID 37243297
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide (CID 28754500) is N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(CCN)cc2)cc1.
What is the InChIKey of N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide?
The InChIKey is VNCXYLLXMMCKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-12-2-6-14(7-3-12)16(19)18-15-8-4-13(5-9-15)10-11-17/h2-9H,10-11,17H2,1H3,(H,18,19).
What are the key properties of N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide?
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide has a molecular weight of 254.33 g/mol, XLogP of 2.75, 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]-4-methylbenzamide is sourced from PubChem (CID 28754500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).