N,N-dimethylaniline

C16H22N2 — CID 70392672

IUPACN,N-dimethylaniline
SMILESCN(C)c1ccccc1.CN(C)c1ccccc1
InChIInChI=1S/2C8H11N/c2*1-9(2)8-6-4-3-5-7-8/h2*3-7H,1-2H3
InChIKeyICLMZQVLRKSOSJ-UHFFFAOYSA-N
MW242.37 g/mol
LogP3.51
Rot. Bonds2

About N,N-dimethylaniline

N,N-dimethylaniline (PubChem CID 70392672) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N,N-dimethylaniline.

Molecular Properties

Compound NameN,N-dimethylaniline
PubChem CID70392672
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN,N-dimethylaniline
SMILESCN(C)c1ccccc1.CN(C)c1ccccc1
InChIInChI=1S/2C8H11N/c2*1-9(2)8-6-4-3-5-7-8/h2*3-7H,1-2H3
InChIKeyICLMZQVLRKSOSJ-UHFFFAOYSA-N
XLogP3.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 69241188
CID 69241188
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;nickel
CID 158294400
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;osmium(4+)
CID 172845967
N,N-dimethylaniline;methanol
CID 143205399
carbon monoxide;N,N-dimethylaniline;tungsten
CID 134981716
N,N-dimethylaniline;N,N-diphenylaniline
CID 159990775
azanylidyneazanium;N,N-dimethylaniline;chloride
CID 23457952
acetaldehyde;N,N-dimethylaniline
CID 158535205
bis(N,N-dimethylaniline);bis(N,N-dimethylmethanamine);ethane;toluene
CID 159937549

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylaniline?
The IUPAC name of N,N-dimethylaniline (CID 70392672) is N,N-dimethylaniline.
What is the SMILES notation for N,N-dimethylaniline?
The canonical SMILES for N,N-dimethylaniline is CN(C)c1ccccc1.CN(C)c1ccccc1.
What is the InChIKey of N,N-dimethylaniline?
The InChIKey is ICLMZQVLRKSOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11N/c2*1-9(2)8-6-4-3-5-7-8/h2*3-7H,1-2H3.
What are the key properties of N,N-dimethylaniline?
N,N-dimethylaniline has a molecular weight of 242.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylaniline is sourced from PubChem (CID 70392672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).