N-ethenyl-2,3-dimethylaniline

C10H13N — CID 70358153

IUPACN-ethenyl-2,3-dimethylaniline
SMILESC=CNc1cccc(C)c1C
InChIInChI=1S/C10H13N/c1-4-11-10-7-5-6-8(2)9(10)3/h4-7,11H,1H2,2-3H3
InChIKeyXTMQMOKUNPFONN-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.86
Rot. Bonds2

About N-ethenyl-2,3-dimethylaniline

N-ethenyl-2,3-dimethylaniline (PubChem CID 70358153) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is N-ethenyl-2,3-dimethylaniline.

Molecular Properties

Compound NameN-ethenyl-2,3-dimethylaniline
PubChem CID70358153
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC NameN-ethenyl-2,3-dimethylaniline
SMILESC=CNc1cccc(C)c1C
InChIInChI=1S/C10H13N/c1-4-11-10-7-5-6-8(2)9(10)3/h4-7,11H,1H2,2-3H3
InChIKeyXTMQMOKUNPFONN-UHFFFAOYSA-N
XLogP2.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;N-ethenyl-2-methylaniline
CID 142183828
N-(2,3-dimethylphenyl)formamide;methane
CID 143644303
butane;N-ethenyl-2-methylaniline
CID 142042280
benzene;1,2,3-trimethylbenzene
CID 159605245
ethane;1,2,3-trimethylbenzene
CID 54068667
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
2,3-dimethyl-N-phenylaniline
CID 14952469
(E)-3-(2,3-dimethylanilino)-1-(furan-2-yl)prop-2-en-1-one
CID 126185496
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
CID 158486906
methane;1,2,3-trimethylbenzene;1,2-xylene
CID 157250417
phosphenous acid;1,2,3-trimethylbenzene
CID 174913168
2-(2,3-dimethylanilino)benzaldehyde
CID 15027376

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-2,3-dimethylaniline?
The IUPAC name of N-ethenyl-2,3-dimethylaniline (CID 70358153) is N-ethenyl-2,3-dimethylaniline.
What is the SMILES notation for N-ethenyl-2,3-dimethylaniline?
The canonical SMILES for N-ethenyl-2,3-dimethylaniline is C=CNc1cccc(C)c1C.
What is the InChIKey of N-ethenyl-2,3-dimethylaniline?
The InChIKey is XTMQMOKUNPFONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-4-11-10-7-5-6-8(2)9(10)3/h4-7,11H,1H2,2-3H3.
What are the key properties of N-ethenyl-2,3-dimethylaniline?
N-ethenyl-2,3-dimethylaniline has a molecular weight of 147.22 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-2,3-dimethylaniline is sourced from PubChem (CID 70358153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).