N,4-dimethylaniline

C8H11N — CID 12165

IUPACN,4-dimethylaniline
SMILESCNc1ccc(C)cc1
InChIInChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3
InChIKeyQCIFLGSATTWUQJ-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.04
Rot. Bonds1

About N,4-dimethylaniline

N,4-dimethylaniline (PubChem CID 12165) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is N,4-dimethylaniline.

Molecular Properties

Compound NameN,4-dimethylaniline
PubChem CID12165
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC NameN,4-dimethylaniline
SMILESCNc1ccc(C)cc1
InChIInChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3
InChIKeyQCIFLGSATTWUQJ-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Dimethyl-p-toluidine
CID 7471
p-Toluidine
CID 7813
N-Methylaniline
CID 7515
Bis(p-(dimethylamino)phenyl)methane
CID 7567
N-Ethylaniline
CID 7670
N-Isopropylaniline
CID 13032
Dibenz(b,f)azepine
CID 9212
Benzenamine, 4-methyl-, hydrochloride (1:1)
CID 10891
N,N-Dimethyl-N'-p-tolylsulphamide
CID 738302
4-Methylacetanilide
CID 7684
2,2,4-Trimethyl-1,2-dihydroquinoline
CID 8981
N-ethyl-3-methylaniline
CID 7603

Frequently Asked Questions

What is the IUPAC name of N,4-dimethylaniline?
The IUPAC name of N,4-dimethylaniline (CID 12165) is N,4-dimethylaniline.
What is the SMILES notation for N,4-dimethylaniline?
The canonical SMILES for N,4-dimethylaniline is CNc1ccc(C)cc1.
What is the InChIKey of N,4-dimethylaniline?
The InChIKey is QCIFLGSATTWUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-7-3-5-8(9-2)6-4-7/h3-6,9H,1-2H3.
What are the key properties of N,4-dimethylaniline?
N,4-dimethylaniline has a molecular weight of 121.18 g/mol, XLogP of 2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethylaniline is sourced from PubChem (CID 12165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).