1-(6-methoxy-3-methylindazol-1-yl)propan-2-amine

C12H17N3O — CID 10176813

IUPAC1-(6-methoxy-3-methylindazol-1-yl)propan-2-amine
SMILESCOc1ccc2c(C)nn(CC(C)N)c2c1
InChIInChI=1S/C12H17N3O/c1-8(13)7-15-12-6-10(16-3)4-5-11(12)9(2)14-15/h4-6,8H,7,13H2,1-3H3
InChIKeyWMYZYDUOEKWORM-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.70
Rot. Bonds3

About 1-(6-methoxy-3-methylindazol-1-yl)propan-2-amine

1-(6-methoxy-3-methylindazol-1-yl)propan-2-amine (PubChem CID 10176813) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(6-methoxy-3-methylindazol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(6-methoxy-3-methylindazol-1-yl)propan-2-amine
PubChem CID10176813
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(6-methoxy-3-methylindazol-1-yl)propan-2-amine
SMILESCOc1ccc2c(C)nn(CC(C)N)c2c1
InChIInChI=1S/C12H17N3O/c1-8(13)7-15-12-6-10(16-3)4-5-11(12)9(2)14-15/h4-6,8H,7,13H2,1-3H3
InChIKeyWMYZYDUOEKWORM-UHFFFAOYSA-N
XLogP1.70
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

AL-34662
CID 135453290
AL-38022A
CID 12985378
1-((S)-2-aminopropyl)-7-fluoro-1H-indazol-6-ol
CID 135399866
1-(2-aminoethyl)-1H-indazol-6-ol
CID 135520431
(S)-2-(6-methoxyindazol-1-yl)-1-methylethylamine
CID 11708275
1-((R)-2-aminopropyl)-1H-indazol-6-ol
CID 135399666
1-((S)-2-aminopropyl)-7-iodo-1H-indazol-6-ol
CID 135427931
7-Methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 44264336
Allyl-[6-(1,3-dimethyl-1H-indazol-6-yloxy)-hexyl]-methyl-amine
CID 44306372
(2S)-1-(7-chloro-6-methoxyindazol-1-yl)propan-2-amine
CID 44452831
1-(4-Methoxybenzyl)-3-((4-methoxybenzyl)oxy)-1H-indazole
CID 51357040
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-methoxyindazole;dihydrochloride
CID 90664845

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-methylindazol-1-yl)propan-2-amine?
The IUPAC name of 1-(6-methoxy-3-methylindazol-1-yl)propan-2-amine (CID 10176813) is 1-(6-methoxy-3-methylindazol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(6-methoxy-3-methylindazol-1-yl)propan-2-amine?
The canonical SMILES for 1-(6-methoxy-3-methylindazol-1-yl)propan-2-amine is COc1ccc2c(C)nn(CC(C)N)c2c1.
What is the InChIKey of 1-(6-methoxy-3-methylindazol-1-yl)propan-2-amine?
The InChIKey is WMYZYDUOEKWORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(13)7-15-12-6-10(16-3)4-5-11(12)9(2)14-15/h4-6,8H,7,13H2,1-3H3.
What are the key properties of 1-(6-methoxy-3-methylindazol-1-yl)propan-2-amine?
1-(6-methoxy-3-methylindazol-1-yl)propan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-methylindazol-1-yl)propan-2-amine is sourced from PubChem (CID 10176813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).