1-(3-chloro-1-methylindazol-6-yl)-N-methylethanamine

C11H14ClN3 — CID 84725424

IUPAC1-(3-chloro-1-methylindazol-6-yl)-N-methylethanamine
SMILESCNC(C)c1ccc2c(Cl)nn(C)c2c1
InChIInChI=1S/C11H14ClN3/c1-7(13-2)8-4-5-9-10(6-8)15(3)14-11(9)12/h4-7,13H,1-3H3
InChIKeyHYRCDOIOZREADZ-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.51
Rot. Bonds2

About 1-(3-chloro-1-methylindazol-6-yl)-N-methylethanamine

1-(3-chloro-1-methylindazol-6-yl)-N-methylethanamine (PubChem CID 84725424) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 1-(3-chloro-1-methylindazol-6-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3-chloro-1-methylindazol-6-yl)-N-methylethanamine
PubChem CID84725424
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name1-(3-chloro-1-methylindazol-6-yl)-N-methylethanamine
SMILESCNC(C)c1ccc2c(Cl)nn(C)c2c1
InChIInChI=1S/C11H14ClN3/c1-7(13-2)8-4-5-9-10(6-8)15(3)14-11(9)12/h4-7,13H,1-3H3
InChIKeyHYRCDOIOZREADZ-UHFFFAOYSA-N
XLogP2.51
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-1-methylindazol-6-yl)ethanol
CID 84678090
1-(1,3-dimethylindol-6-yl)-N-methylethanamine
CID 117205005
3-chloro-6-(isocyanatomethyl)-1-methylindazole
CID 117317274
6-butan-2-yl-1-methyl-3-propan-2-ylindazole
CID 174350260
N-methyl-1-(1-propan-2-ylindazol-6-yl)ethanamine
CID 84724165
(1R)-1-(3-bromo-4-chlorophenyl)-N-methylethanamine
CID 130682400
(1S)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130663868
(1R)-1-(4-bromo-3-chlorophenyl)-N-methylethanamine
CID 130690836
5-(3-chloro-1-methylindazol-6-yl)-1,2-oxazol-3-amine
CID 117374898
1-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-N-methylethanamine
CID 55131292
1-(2,4-dimethylquinolin-7-yl)-N-methylethanamine
CID 105468041
4-(3-chloro-1-methylindazol-6-yl)-1H-pyrazol-5-amine
CID 117372451

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-1-methylindazol-6-yl)-N-methylethanamine?
The IUPAC name of 1-(3-chloro-1-methylindazol-6-yl)-N-methylethanamine (CID 84725424) is 1-(3-chloro-1-methylindazol-6-yl)-N-methylethanamine.
What is the SMILES notation for 1-(3-chloro-1-methylindazol-6-yl)-N-methylethanamine?
The canonical SMILES for 1-(3-chloro-1-methylindazol-6-yl)-N-methylethanamine is CNC(C)c1ccc2c(Cl)nn(C)c2c1.
What is the InChIKey of 1-(3-chloro-1-methylindazol-6-yl)-N-methylethanamine?
The InChIKey is HYRCDOIOZREADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-7(13-2)8-4-5-9-10(6-8)15(3)14-11(9)12/h4-7,13H,1-3H3.
What are the key properties of 1-(3-chloro-1-methylindazol-6-yl)-N-methylethanamine?
1-(3-chloro-1-methylindazol-6-yl)-N-methylethanamine has a molecular weight of 223.71 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-1-methylindazol-6-yl)-N-methylethanamine is sourced from PubChem (CID 84725424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).