N,2-dimethylaniline

C16H22N2 — CID 163768915

IUPACN,2-dimethylaniline
SMILESCNc1ccccc1C.CNc1ccccc1C
InChIInChI=1S/2C8H11N/c2*1-7-5-3-4-6-8(7)9-2/h2*3-6,9H,1-2H3
InChIKeyMETILHNRNDVKOI-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.07
Rot. Bonds2

About N,2-dimethylaniline

N,2-dimethylaniline (PubChem CID 163768915) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N,2-dimethylaniline.

Molecular Properties

Compound NameN,2-dimethylaniline
PubChem CID163768915
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC NameN,2-dimethylaniline
SMILESCNc1ccccc1C.CNc1ccccc1C
InChIInChI=1S/2C8H11N/c2*1-7-5-3-4-6-8(7)9-2/h2*3-6,9H,1-2H3
InChIKeyMETILHNRNDVKOI-UHFFFAOYSA-N
XLogP4.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

acetaldehyde;N,2-dimethylaniline;ethane
CID 143317223
2-fluoro-N,3-dimethylaniline
CID 50998713
2-methyl-6-(methylamino)benzenethiol
CID 22120066
2-fluoro-N-methyl-3-(2-methylphenyl)aniline
CID 144912363
2-(2-methylanilino)acetonitrile
CID 28018
2-N-methyl-6-N-(2-methylphenyl)pyridine-2,6-diamine
CID 80755629
1,2-xylene
CID 173422016
CID 175798397
CID 175798397
[2-(methylamino)phenyl]azanium
CID 143395954
N-methyl-2-phosphanylaniline
CID 12828029
ethane;1-methyl-3-(2-methylphenyl)thiourea
CID 90811934
ethane;N-ethenyl-2-methylaniline
CID 142183828

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylaniline?
The IUPAC name of N,2-dimethylaniline (CID 163768915) is N,2-dimethylaniline.
What is the SMILES notation for N,2-dimethylaniline?
The canonical SMILES for N,2-dimethylaniline is CNc1ccccc1C.CNc1ccccc1C.
What is the InChIKey of N,2-dimethylaniline?
The InChIKey is METILHNRNDVKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11N/c2*1-7-5-3-4-6-8(7)9-2/h2*3-6,9H,1-2H3.
What are the key properties of N,2-dimethylaniline?
N,2-dimethylaniline has a molecular weight of 242.37 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylaniline is sourced from PubChem (CID 163768915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).