2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline

C13H16FN3 — CID 103002231

IUPAC2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCc1cccc(F)c1NCCc1ccnn1C
InChIInChI=1S/C13H16FN3/c1-10-4-3-5-12(14)13(10)15-8-6-11-7-9-16-17(11)2/h3-5,7,9,15H,6,8H2,1-2H3
InChIKeyCBDPTNLGTBPRDV-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.52
Rot. Bonds4

About 2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline

2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline (PubChem CID 103002231) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline.

Molecular Properties

Compound Name2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
PubChem CID103002231
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
SMILESCc1cccc(F)c1NCCc1ccnn1C
InChIInChI=1S/C13H16FN3/c1-10-4-3-5-12(14)13(10)15-8-6-11-7-9-16-17(11)2/h3-5,7,9,15H,6,8H2,1-2H3
InChIKeyCBDPTNLGTBPRDV-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

2,6-diethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103001281
3,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000710
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-2-nitroaniline
CID 102608181
5-chloro-2-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000865
2,5-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000748
2-hydroxy-3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 104693761
4-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 103000858
3-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrazin-2-amine
CID 103007712
N-[2-(2-methylpyrazol-3-yl)ethyl]-5,6,7,8-tetrahydronaphthalen-1-amine
CID 103000564
6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridazin-3-amine
CID 103007760
3-chloro-5-fluoro-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline
CID 107365450
2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-6-pyrrolidin-1-ylaniline
CID 75449187

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The IUPAC name of 2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline (CID 103002231) is 2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline.
What is the SMILES notation for 2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The canonical SMILES for 2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline is Cc1cccc(F)c1NCCc1ccnn1C.
What is the InChIKey of 2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
The InChIKey is CBDPTNLGTBPRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-10-4-3-5-12(14)13(10)15-8-6-11-7-9-16-17(11)2/h3-5,7,9,15H,6,8H2,1-2H3.
What are the key properties of 2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline?
2-fluoro-6-methyl-N-[2-(2-methylpyrazol-3-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-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]aniline is sourced from PubChem (CID 103002231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).