2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

C13H16FN3 — CID 114527506

IUPAC2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCc1ccc(F)c(NCCc2nccn2C)c1
InChIInChI=1S/C13H16FN3/c1-10-3-4-11(14)12(9-10)15-6-5-13-16-7-8-17(13)2/h3-4,7-9,15H,5-6H2,1-2H3
InChIKeyYVTVTXLIWDUIAO-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.52
Rot. Bonds4

About 2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline

2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (PubChem CID 114527506) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
PubChem CID114527506
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
SMILESCc1ccc(F)c(NCCc2nccn2C)c1
InChIInChI=1S/C13H16FN3/c1-10-3-4-11(14)12(9-10)15-6-5-13-16-7-8-17(13)2/h3-4,7-9,15H,5-6H2,1-2H3
InChIKeyYVTVTXLIWDUIAO-UHFFFAOYSA-N
XLogP2.52
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[2-(1-methylimidazol-2-yl)ethylamino]benzenecarbothioamide
CID 62301267
4-bromo-2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527453
2,6-difluoro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527510
2,3-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527496
6-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79142595
4-chloro-2-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 63081748
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
3,4-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527468
N-[2-(1-methylimidazol-2-yl)ethyl]-4-methylsulfanylaniline
CID 114527448
2-methyl-3-N-[2-(1-methylimidazol-2-yl)ethyl]benzene-1,3-diamine
CID 63061895
3-methyl-4-[2-(1-methylimidazol-2-yl)ethylamino]benzonitrile
CID 61212795

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The IUPAC name of 2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline (CID 114527506) is 2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline.
What is the SMILES notation for 2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The canonical SMILES for 2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is Cc1ccc(F)c(NCCc2nccn2C)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
The InChIKey is YVTVTXLIWDUIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-10-3-4-11(14)12(9-10)15-6-5-13-16-7-8-17(13)2/h3-4,7-9,15H,5-6H2,1-2H3.
What are the key properties of 2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline?
2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline has a molecular weight of 233.29 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]aniline is sourced from PubChem (CID 114527506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).