1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine

C12H17N3O — CID 83910284

IUPAC1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine
SMILESCOc1cccc2c(CC(C)N)nn(C)c12
InChIInChI=1S/C12H17N3O/c1-8(13)7-10-9-5-4-6-11(16-3)12(9)15(2)14-10/h4-6,8H,7,13H2,1-3H3
InChIKeyKBJZRTYJMQGPCW-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.47
Rot. Bonds3

About 1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine

1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine (PubChem CID 83910284) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine
PubChem CID83910284
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine
SMILESCOc1cccc2c(CC(C)N)nn(C)c12
InChIInChI=1S/C12H17N3O/c1-8(13)7-10-9-5-4-6-11(16-3)12(9)15(2)14-10/h4-6,8H,7,13H2,1-3H3
InChIKeyKBJZRTYJMQGPCW-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(7-methoxy-1,2-dimethylindol-3-yl)propan-2-amine
CID 82495856
methyl 1-methyl-3-(2-methylpropyl)indazole-7-carboxylate
CID 90133193
3-(2-aminopropyl)-8-methoxy-1-methylquinolin-2-one
CID 84632285
2-(7-methoxy-3-methylindazol-1-yl)ethanamine
CID 84673302
3-methoxy-4-methyl-1-(1-methylindazol-3-yl)pentan-2-amine
CID 116719859
1-(2-methoxyphenyl)propan-2-amine;hydrochloride
CID 3029810
1-(3,6-dimethoxy-2-pyridinyl)propan-2-amine
CID 169246630
(2S)-1-(2-bromo-6-methoxyphenyl)propan-2-amine
CID 130691963
7-methoxy-2-methylindazol-3-amine
CID 177108697
1-(3-methoxy-2-propan-2-ylphenyl)propan-2-amine
CID 117296824
2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126355
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]imidazol-4-yl]propan-2-amine
CID 106721217

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine?
The IUPAC name of 1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine (CID 83910284) is 1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine is COc1cccc2c(CC(C)N)nn(C)c12.
What is the InChIKey of 1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine?
The InChIKey is KBJZRTYJMQGPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-8(13)7-10-9-5-4-6-11(16-3)12(9)15(2)14-10/h4-6,8H,7,13H2,1-3H3.
What are the key properties of 1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine?
1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine has a molecular weight of 219.29 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-1-methylindazol-3-yl)propan-2-amine is sourced from PubChem (CID 83910284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).