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

C12H16BrN3 — CID 84730588

IUPAC1-(3-bromo-1-ethylindazol-6-yl)propan-2-amine
SMILESCCn1nc(Br)c2ccc(CC(C)N)cc21
InChIInChI=1S/C12H16BrN3/c1-3-16-11-7-9(6-8(2)14)4-5-10(11)12(13)15-16/h4-5,7-8H,3,6,14H2,1-2H3
InChIKeyINAQECIIWKQXLK-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.71
Rot. Bonds3

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

1-(3-bromo-1-ethylindazol-6-yl)propan-2-amine (PubChem CID 84730588) has the molecular formula C12H16BrN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is 1-(3-bromo-1-ethylindazol-6-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-1-ethylindazol-6-yl)propan-2-amine
PubChem CID84730588
Molecular FormulaC12H16BrN3
Molecular Weight282.19 g/mol
Exact Mass281.05
IUPAC Name1-(3-bromo-1-ethylindazol-6-yl)propan-2-amine
SMILESCCn1nc(Br)c2ccc(CC(C)N)cc21
InChIInChI=1S/C12H16BrN3/c1-3-16-11-7-9(6-8(2)14)4-5-10(11)12(13)15-16/h4-5,7-8H,3,6,14H2,1-2H3
InChIKeyINAQECIIWKQXLK-UHFFFAOYSA-N
XLogP2.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,2,3-trimethylindol-6-yl)propan-2-amine
CID 117308494
(2R)-1-(3,4-diethylphenyl)propan-2-amine
CID 139743643
1-(3-bromo-4-methylphenyl)propan-2-amine
CID 83710327
(2R)-1-(1-methylbenzimidazol-5-yl)propan-2-amine
CID 95404460
(2S)-1-(4-bromo-3-chlorophenyl)propan-2-amine
CID 130730966
1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine
CID 117457500
1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine
CID 117313447
1-(3,5-diethylphenyl)propan-2-amine
CID 89151749
1-(1,2,3-trimethylindol-5-yl)propan-2-amine
CID 115006318
1-[8-(2-aminopropyl)dibenzothiophen-2-yl]propan-2-amine
CID 170864486
1-(2-propan-2-ylindazol-6-yl)propan-2-amine
CID 84724116
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-chlorophenyl]propan-2-amine
CID 81165729

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-1-ethylindazol-6-yl)propan-2-amine?
The IUPAC name of 1-(3-bromo-1-ethylindazol-6-yl)propan-2-amine (CID 84730588) is 1-(3-bromo-1-ethylindazol-6-yl)propan-2-amine.
What is the SMILES notation for 1-(3-bromo-1-ethylindazol-6-yl)propan-2-amine?
The canonical SMILES for 1-(3-bromo-1-ethylindazol-6-yl)propan-2-amine is CCn1nc(Br)c2ccc(CC(C)N)cc21.
What is the InChIKey of 1-(3-bromo-1-ethylindazol-6-yl)propan-2-amine?
The InChIKey is INAQECIIWKQXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3/c1-3-16-11-7-9(6-8(2)14)4-5-10(11)12(13)15-16/h4-5,7-8H,3,6,14H2,1-2H3.
What are the key properties of 1-(3-bromo-1-ethylindazol-6-yl)propan-2-amine?
1-(3-bromo-1-ethylindazol-6-yl)propan-2-amine has a molecular weight of 282.19 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-1-ethylindazol-6-yl)propan-2-amine is sourced from PubChem (CID 84730588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).