N,N-dimethylaniline

C8H11N — CID 949

IUPACN,N-dimethylaniline
SMILESCN(C)c1ccccc1
InChIInChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyJLTDJTHDQAWBAV-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.75
Rot. Bonds1

About N,N-dimethylaniline

N,N-dimethylaniline (PubChem CID 949) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N,N-dimethylaniline.

Molecular Properties

Compound NameN,N-dimethylaniline
PubChem CID949
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN,N-dimethylaniline
SMILESCN(C)c1ccccc1
InChIInChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3
InChIKeyJLTDJTHDQAWBAV-UHFFFAOYSA-N
XLogP1.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylaniline?
The IUPAC name of N,N-dimethylaniline (CID 949) is N,N-dimethylaniline.
What is the SMILES notation for N,N-dimethylaniline?
The canonical SMILES for N,N-dimethylaniline is CN(C)c1ccccc1.
What is the InChIKey of N,N-dimethylaniline?
The InChIKey is JLTDJTHDQAWBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-9(2)8-6-4-3-5-7-8/h3-7H,1-2H3.
What are the key properties of N,N-dimethylaniline?
N,N-dimethylaniline has a molecular weight of 121.18 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylaniline is sourced from PubChem (CID 949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).