N-[(4-aminophenyl)methyl]-2-methylbenzamide

C15H16N2O — CID 60892796

IUPACN-[(4-aminophenyl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1ccc(N)cc1
InChIInChI=1S/C15H16N2O/c1-11-4-2-3-5-14(11)15(18)17-10-12-6-8-13(16)9-7-12/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyWTVDKZISQOPNAG-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.51
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-2-methylbenzamide

N-[(4-aminophenyl)methyl]-2-methylbenzamide (PubChem CID 60892796) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-methylbenzamide
PubChem CID60892796
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC NameN-[(4-aminophenyl)methyl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NCc1ccc(N)cc1
InChIInChI=1S/C15H16N2O/c1-11-4-2-3-5-14(11)15(18)17-10-12-6-8-13(16)9-7-12/h2-9H,10,16H2,1H3,(H,17,18)
InChIKeyWTVDKZISQOPNAG-UHFFFAOYSA-N
XLogP2.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481324
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
N-[(4-aminophenyl)methyl]-3-methyl-2-nitrobenzamide
CID 116649925
N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide
CID 79214611
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-2-methylbenzamide
CID 76932844
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
CID 110484084
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887
N-[[4-(3-aminopropylcarbamoyl)phenyl]methyl]-2-methylbenzamide
CID 82097440
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 33311555
N-(furan-3-ylmethyl)-2-methylbenzamide
CID 47285303
N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
CID 60893162

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-methylbenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-methylbenzamide (CID 60892796) is N-[(4-aminophenyl)methyl]-2-methylbenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-methylbenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-methylbenzamide is Cc1ccccc1C(=O)NCc1ccc(N)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-methylbenzamide?
The InChIKey is WTVDKZISQOPNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-11-4-2-3-5-14(11)15(18)17-10-12-6-8-13(16)9-7-12/h2-9H,10,16H2,1H3,(H,17,18).
What are the key properties of N-[(4-aminophenyl)methyl]-2-methylbenzamide?
N-[(4-aminophenyl)methyl]-2-methylbenzamide has a molecular weight of 240.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2-methylbenzamide is sourced from PubChem (CID 60892796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).