N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide

C17H20N2O — CID 43458074

IUPACN-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
SMILESCc1ccc(C)c(C(=O)N(C)Cc2ccc(N)cc2)c1
InChIInChI=1S/C17H20N2O/c1-12-4-5-13(2)16(10-12)17(20)19(3)11-14-6-8-15(18)9-7-14/h4-10H,11,18H2,1-3H3
InChIKeyKGQLPFOLZQZFRM-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.16
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide

N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide (PubChem CID 43458074) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
PubChem CID43458074
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide
SMILESCc1ccc(C)c(C(=O)N(C)Cc2ccc(N)cc2)c1
InChIInChI=1S/C17H20N2O/c1-12-4-5-13(2)16(10-12)17(20)19(3)11-14-6-8-15(18)9-7-14/h4-10H,11,18H2,1-3H3
InChIKeyKGQLPFOLZQZFRM-UHFFFAOYSA-N
XLogP3.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.16
H-Bond Donors ≤ 51
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-chlorophenyl)methyl]-N,2,5-trimethylbenzamide
CID 100542363
N-[(4-aminophenyl)methyl]-N-ethyl-2,5-dimethylbenzamide
CID 43458688
5-amino-2-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 43510882
N-[[4-(aminomethyl)phenyl]methyl]-2-fluoro-N,5-dimethylbenzamide
CID 62516506
2-amino-4-fluoro-N-methyl-N-[(4-methylphenyl)methyl]benzamide
CID 63109740
2-amino-N,3-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 28798437
N-[(4-aminophenyl)methyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82827016
N-[(4-bromophenyl)methyl]-N,2,4-trimethylbenzamide
CID 60628421
2-[(2,5-dimethylbenzoyl)-methylamino]acetic acid
CID 18071913
4-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]aniline
CID 61481760
N-[(4-bromophenyl)methyl]-2-hydroxy-N,5-dimethylbenzamide
CID 42987430
N-[(4-tert-butylphenyl)methyl]-N,2-dimethyl-5-sulfamoylbenzamide
CID 24546841

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide (CID 43458074) is N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide is Cc1ccc(C)c(C(=O)N(C)Cc2ccc(N)cc2)c1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide?
The InChIKey is KGQLPFOLZQZFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-4-5-13(2)16(10-12)17(20)19(3)11-14-6-8-15(18)9-7-14/h4-10H,11,18H2,1-3H3.
What are the key properties of N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide?
N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide has a molecular weight of 268.36 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N,2,5-trimethylbenzamide is sourced from PubChem (CID 43458074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).