N-benzyl-N,2,5-trimethylaniline

C16H19N — CID 15439716

IUPACN-benzyl-N,2,5-trimethylaniline
SMILESCc1ccc(C)c(N(C)Cc2ccccc2)c1
InChIInChI=1S/C16H19N/c1-13-9-10-14(2)16(11-13)17(3)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChIKeyGIRXHRBUQKXYAT-UHFFFAOYSA-N
MW225.34 g/mol
LogP3.94
Rot. Bonds3

About N-benzyl-N,2,5-trimethylaniline

N-benzyl-N,2,5-trimethylaniline (PubChem CID 15439716) has the molecular formula C16H19N and a molecular weight of 225.34 g/mol. Its IUPAC name is N-benzyl-N,2,5-trimethylaniline.

Molecular Properties

Compound NameN-benzyl-N,2,5-trimethylaniline
PubChem CID15439716
Molecular FormulaC16H19N
Molecular Weight225.34 g/mol
Exact Mass225.15
IUPAC NameN-benzyl-N,2,5-trimethylaniline
SMILESCc1ccc(C)c(N(C)Cc2ccccc2)c1
InChIInChI=1S/C16H19N/c1-13-9-10-14(2)16(11-13)17(3)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
InChIKeyGIRXHRBUQKXYAT-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-benzyl-N,2,5-trimethylaniline 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

N'-benzyl-N'-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 39357128
N-[(2,5-dimethylphenyl)methyl]-N-methyl-1-phenylmethanamine
CID 10610052
1-N-benzyl-1-N,2-dimethylbenzene-1,4-diamine
CID 43165465
N-benzyl-2-[N-(dimethylsulfamoyl)-2,5-dimethylanilino]-N-methylacetamide
CID 92663790
4-(aminomethyl)-N-benzyl-N,2-dimethylaniline
CID 60929185
1-(N,2,5-trimethylanilino)propan-2-ol
CID 82112048
N-benzyl-2-(bromomethyl)-N-methylaniline
CID 107079172
4-[(N,2,4-trimethylanilino)methyl]phenol
CID 82972802
N-(2,5-dimethylphenyl)-N-methyl-4-phenylbutanamide
CID 60538754
1-benzyl-2-(2,4-dimethylphenyl)-1-methylhydrazine
CID 57180134
4-[benzyl(methyl)amino]-3-[(2,5-dimethylphenyl)sulfonylamino]benzoic acid
CID 50767116
3-[3-[(N,2-dimethylanilino)methyl]phenyl]prop-2-enoic acid
CID 76931011

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,2,5-trimethylaniline?
The IUPAC name of N-benzyl-N,2,5-trimethylaniline (CID 15439716) is N-benzyl-N,2,5-trimethylaniline.
What is the SMILES notation for N-benzyl-N,2,5-trimethylaniline?
The canonical SMILES for N-benzyl-N,2,5-trimethylaniline is Cc1ccc(C)c(N(C)Cc2ccccc2)c1.
What is the InChIKey of N-benzyl-N,2,5-trimethylaniline?
The InChIKey is GIRXHRBUQKXYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N/c1-13-9-10-14(2)16(11-13)17(3)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3.
What are the key properties of N-benzyl-N,2,5-trimethylaniline?
N-benzyl-N,2,5-trimethylaniline has a molecular weight of 225.34 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,2,5-trimethylaniline is sourced from PubChem (CID 15439716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).