2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

C14H19N3 — CID 114527496

IUPAC2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCc1cccc(NCCc2nccn2C)c1C
InChIInChI=1S/C14H19N3/c1-11-5-4-6-13(12(11)2)15-8-7-14-16-9-10-17(14)3/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyXIUBUULYPSIFOR-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.69
Rot. Bonds4

About 2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (PubChem CID 114527496) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
PubChem CID114527496
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCc1cccc(NCCc2nccn2C)c1C
InChIInChI=1S/C14H19N3/c1-11-5-4-6-13(12(11)2)15-8-7-14-16-9-10-17(14)3/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyXIUBUULYPSIFOR-UHFFFAOYSA-N
XLogP2.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-N-[2-(1-methylimidazol-2-yl)ethyl]benzene-1,3-diamine
CID 63061895
2,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527594
N-(2,3-dimethylphenyl)-2-(1-methylimidazol-2-yl)acetamide
CID 110474610
2-(1-chloroethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114531766
2-amino-3-[2-(1-methylimidazol-2-yl)ethylamino]benzenesulfonamide
CID 115992604
2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527510
2,5-dichloro-4-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527755
4-methoxy-2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527611
2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527506
3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 61212795
3-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]-2-nitroaniline
CID 80908222
2,3-dimethyl-N-(2-pyrazol-1-ylethyl)aniline
CID 61491576

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The IUPAC name of 2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (CID 114527496) is 2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The canonical SMILES for 2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is Cc1cccc(NCCc2nccn2C)c1C.
What is the InChIKey of 2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The InChIKey is XIUBUULYPSIFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-5-4-6-13(12(11)2)15-8-7-14-16-9-10-17(14)3/h4-6,9-10,15H,7-8H2,1-3H3.
What are the key properties of 2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline has a molecular weight of 229.33 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 114527496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).