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

C11H14BrN3 — CID 84729922

IUPAC3-(6-bromo-3-methylindazol-2-yl)propan-1-amine
SMILESCc1c2ccc(Br)cc2nn1CCCN
InChIInChI=1S/C11H14BrN3/c1-8-10-4-3-9(12)7-11(10)14-15(8)6-2-5-13/h3-4,7H,2,5-6,13H2,1H3
InChIKeyNEYJGAHJYXBTCG-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.46
Rot. Bonds3

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

3-(6-bromo-3-methylindazol-2-yl)propan-1-amine (PubChem CID 84729922) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 3-(6-bromo-3-methylindazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(6-bromo-3-methylindazol-2-yl)propan-1-amine
PubChem CID84729922
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name3-(6-bromo-3-methylindazol-2-yl)propan-1-amine
SMILESCc1c2ccc(Br)cc2nn1CCCN
InChIInChI=1S/C11H14BrN3/c1-8-10-4-3-9(12)7-11(10)14-15(8)6-2-5-13/h3-4,7H,2,5-6,13H2,1H3
InChIKeyNEYJGAHJYXBTCG-UHFFFAOYSA-N
XLogP2.46
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-3-methylindazol-2-yl)propan-1-amine
CID 84729918
3-(6-chloro-3-methylindazol-2-yl)propan-1-amine
CID 84725364
3-(3-bromo-6-methylindazol-2-yl)propan-1-amine
CID 84729921
2-(7-bromo-3-methylindazol-2-yl)ethanamine
CID 84729164
3-(7-bromo-4-methylquinazolin-2-yl)propan-1-amine
CID 84811803
3-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine;hydrochloride
CID 90486278
2-(6-chloro-3-methylindazol-2-yl)-N-methylethanamine
CID 84725366
3-[5-(3-bromophenyl)tetrazol-1-yl]propan-1-amine
CID 61373336
2-(3-bromo-2-ethylindazol-6-yl)ethanamine
CID 84729863
2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethanamine
CID 19616349
3-(3-chloroindazol-2-yl)propan-1-amine
CID 84722992
3-[1-(4-bromo-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 104509106

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-3-methylindazol-2-yl)propan-1-amine?
The IUPAC name of 3-(6-bromo-3-methylindazol-2-yl)propan-1-amine (CID 84729922) is 3-(6-bromo-3-methylindazol-2-yl)propan-1-amine.
What is the SMILES notation for 3-(6-bromo-3-methylindazol-2-yl)propan-1-amine?
The canonical SMILES for 3-(6-bromo-3-methylindazol-2-yl)propan-1-amine is Cc1c2ccc(Br)cc2nn1CCCN.
What is the InChIKey of 3-(6-bromo-3-methylindazol-2-yl)propan-1-amine?
The InChIKey is NEYJGAHJYXBTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-8-10-4-3-9(12)7-11(10)14-15(8)6-2-5-13/h3-4,7H,2,5-6,13H2,1H3.
What are the key properties of 3-(6-bromo-3-methylindazol-2-yl)propan-1-amine?
3-(6-bromo-3-methylindazol-2-yl)propan-1-amine has a molecular weight of 268.16 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-3-methylindazol-2-yl)propan-1-amine is sourced from PubChem (CID 84729922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).