1-(4-fluoro-1-methylindazol-3-yl)-N-methylethanamine

C11H14FN3 — CID 112716022

IUPAC1-(4-fluoro-1-methylindazol-3-yl)-N-methylethanamine
SMILESCNC(C)c1nn(C)c2cccc(F)c12
InChIInChI=1S/C11H14FN3/c1-7(13-2)11-10-8(12)5-4-6-9(10)15(3)14-11/h4-7,13H,1-3H3
InChIKeyDHEYWIDWJLKVAX-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.99
Rot. Bonds2

About 1-(4-fluoro-1-methylindazol-3-yl)-N-methylethanamine

1-(4-fluoro-1-methylindazol-3-yl)-N-methylethanamine (PubChem CID 112716022) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is 1-(4-fluoro-1-methylindazol-3-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-fluoro-1-methylindazol-3-yl)-N-methylethanamine
PubChem CID112716022
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC Name1-(4-fluoro-1-methylindazol-3-yl)-N-methylethanamine
SMILESCNC(C)c1nn(C)c2cccc(F)c12
InChIInChI=1S/C11H14FN3/c1-7(13-2)11-10-8(12)5-4-6-9(10)15(3)14-11/h4-7,13H,1-3H3
InChIKeyDHEYWIDWJLKVAX-UHFFFAOYSA-N
XLogP1.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-fluoroethyl)-1-methylindazol-4-amine
CID 84664701
3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
CID 130738450
4-fluoro-1-methylindazole-3-sulfonyl chloride
CID 19083160
8-fluoro-4-[(1R)-1-(methylamino)ethyl]-2H-phthalazin-1-one
CID 175872979
1-(4-chloro-1-methylindazol-3-yl)ethanamine
CID 112716436
1-(1-methyl-3-propan-2-ylindazol-4-yl)ethanamine
CID 105471767
(1-methyl-3-propan-2-ylindazol-4-yl)methanamine
CID 105455775
2-[3-(4-fluoro-1-methylindazol-3-yl)-1-hydroxybutyl]-2-azatricyclo[3.3.1.13,7]decan-5-ol
CID 126592241
2-[3-(4-fluoro-1-methylindazol-3-yl)-1-hydroxybutyl]-7-methyl-2-azatricyclo[3.3.1.13,7]decan-5-ol
CID 129114917
1-methyl-3-propan-2-ylindazole-4-carbaldehyde
CID 91549943
tributyl-(4-fluoro-1-methylindazol-3-yl)stannane
CID 174732024
2-(4-fluoro-1-methylindazol-3-yl)oxyacetic acid
CID 84689003

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-methylindazol-3-yl)-N-methylethanamine?
The IUPAC name of 1-(4-fluoro-1-methylindazol-3-yl)-N-methylethanamine (CID 112716022) is 1-(4-fluoro-1-methylindazol-3-yl)-N-methylethanamine.
What is the SMILES notation for 1-(4-fluoro-1-methylindazol-3-yl)-N-methylethanamine?
The canonical SMILES for 1-(4-fluoro-1-methylindazol-3-yl)-N-methylethanamine is CNC(C)c1nn(C)c2cccc(F)c12.
What is the InChIKey of 1-(4-fluoro-1-methylindazol-3-yl)-N-methylethanamine?
The InChIKey is DHEYWIDWJLKVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-7(13-2)11-10-8(12)5-4-6-9(10)15(3)14-11/h4-7,13H,1-3H3.
What are the key properties of 1-(4-fluoro-1-methylindazol-3-yl)-N-methylethanamine?
1-(4-fluoro-1-methylindazol-3-yl)-N-methylethanamine has a molecular weight of 207.25 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-methylindazol-3-yl)-N-methylethanamine is sourced from PubChem (CID 112716022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).