N-benzyl-3,5-dimethylaniline

C15H17N — CID 10176701

IUPACN-benzyl-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCc2ccccc2)c1
InChIInChI=1S/C15H17N/c1-12-8-13(2)10-15(9-12)16-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3
InChIKeyHOASIFFHQIOFSU-UHFFFAOYSA-N
MW211.31 g/mol
LogP3.92
Rot. Bonds3

About N-benzyl-3,5-dimethylaniline

N-benzyl-3,5-dimethylaniline (PubChem CID 10176701) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is N-benzyl-3,5-dimethylaniline.

Molecular Properties

Compound NameN-benzyl-3,5-dimethylaniline
PubChem CID10176701
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC NameN-benzyl-3,5-dimethylaniline
SMILESCc1cc(C)cc(NCc2ccccc2)c1
InChIInChI=1S/C15H17N/c1-12-8-13(2)10-15(9-12)16-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3
InChIKeyHOASIFFHQIOFSU-UHFFFAOYSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3,5-dimethylaniline?
The IUPAC name of N-benzyl-3,5-dimethylaniline (CID 10176701) is N-benzyl-3,5-dimethylaniline.
What is the SMILES notation for N-benzyl-3,5-dimethylaniline?
The canonical SMILES for N-benzyl-3,5-dimethylaniline is Cc1cc(C)cc(NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3,5-dimethylaniline?
The InChIKey is HOASIFFHQIOFSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N/c1-12-8-13(2)10-15(9-12)16-11-14-6-4-3-5-7-14/h3-10,16H,11H2,1-2H3.
What are the key properties of N-benzyl-3,5-dimethylaniline?
N-benzyl-3,5-dimethylaniline has a molecular weight of 211.31 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3,5-dimethylaniline is sourced from PubChem (CID 10176701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).