2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline

C13H16FN3 — CID 114254602

IUPAC2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
SMILESCc1cccc(NCCn2ccnc2C)c1F
InChIInChI=1S/C13H16FN3/c1-10-4-3-5-12(13(10)14)16-7-9-17-8-6-15-11(17)2/h3-6,8,16H,7,9H2,1-2H3
InChIKeyRHPACTWYGZYUGX-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.75
Rot. Bonds4

About 2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline

2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline (PubChem CID 114254602) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
PubChem CID114254602
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline
SMILESCc1cccc(NCCn2ccnc2C)c1F
InChIInChI=1S/C13H16FN3/c1-10-4-3-5-12(13(10)14)16-7-9-17-8-6-15-11(17)2/h3-6,8,16H,7,9H2,1-2H3
InChIKeyRHPACTWYGZYUGX-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline?
The IUPAC name of 2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline (CID 114254602) is 2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline.
What is the SMILES notation for 2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline?
The canonical SMILES for 2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline is Cc1cccc(NCCn2ccnc2C)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline?
The InChIKey is RHPACTWYGZYUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-10-4-3-5-12(13(10)14)16-7-9-17-8-6-15-11(17)2/h3-6,8,16H,7,9H2,1-2H3.
What are the key properties of 2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline?
2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline has a molecular weight of 233.29 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]aniline is sourced from PubChem (CID 114254602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).