N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide

C15H16N2O2 — CID 60891251

IUPACN-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(N)cc2)c1O
InChIInChI=1S/C15H16N2O2/c1-10-3-2-4-13(14(10)18)15(19)17-9-11-5-7-12(16)8-6-11/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyUFWCXBXXYZUKOY-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.21
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide

N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide (PubChem CID 60891251) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
PubChem CID60891251
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
SMILESCc1cccc(C(=O)NCc2ccc(N)cc2)c1O
InChIInChI=1S/C15H16N2O2/c1-10-3-2-4-13(14(10)18)15(19)17-9-11-5-7-12(16)8-6-11/h2-8,18H,9,16H2,1H3,(H,17,19)
InChIKeyUFWCXBXXYZUKOY-UHFFFAOYSA-N
XLogP2.21
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-methylbenzamide
CID 60892796
N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481324
N-[[4-(chloromethyl)phenyl]methyl]-2-hydroxy-3-methylbenzamide
CID 107233515
N-[(4-aminophenyl)methyl]-3-methyl-2-nitrobenzamide
CID 116649925
N-[(5-amino-2-hydroxyphenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 43548627
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
CID 110484084
N-[(3-fluorophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 28889361
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
N-[(4-aminophenyl)methyl]-2,3-dichlorobenzamide
CID 60893162
2-hydroxy-N-[[2-(hydroxymethyl)phenyl]methyl]-3-methylbenzamide
CID 110909044
N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide
CID 79214611
2-bromo-N-[[4-(chloromethyl)phenyl]methyl]-3-methylbenzamide
CID 107984081

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide (CID 60891251) is N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide is Cc1cccc(C(=O)NCc2ccc(N)cc2)c1O.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide?
The InChIKey is UFWCXBXXYZUKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-3-2-4-13(14(10)18)15(19)17-9-11-5-7-12(16)8-6-11/h2-8,18H,9,16H2,1H3,(H,17,19).
What are the key properties of N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide?
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide has a molecular weight of 256.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 60891251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).