2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine

C16H15BrFN3 — CID 103127876

IUPAC2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(C(N)Cc2cccc(F)c2Br)c2ccccc21
InChIInChI=1S/C16H15BrFN3/c1-21-14-8-3-2-6-11(14)16(20-21)13(19)9-10-5-4-7-12(18)15(10)17/h2-8,13H,9,19H2,1H3
InChIKeySQZZSYDHJDSKGS-UHFFFAOYSA-N
MW348.22 g/mol
LogP3.72
Rot. Bonds3

About 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine

2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine (PubChem CID 103127876) has the molecular formula C16H15BrFN3 and a molecular weight of 348.22 g/mol. Its IUPAC name is 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
PubChem CID103127876
Molecular FormulaC16H15BrFN3
Molecular Weight348.22 g/mol
Exact Mass347.04
IUPAC Name2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
SMILESCn1nc(C(N)Cc2cccc(F)c2Br)c2ccccc21
InChIInChI=1S/C16H15BrFN3/c1-21-14-8-3-2-6-11(14)16(20-21)13(19)9-10-5-4-7-12(18)15(10)17/h2-8,13H,9,19H2,1H3
InChIKeySQZZSYDHJDSKGS-UHFFFAOYSA-N
XLogP3.72
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol
CID 103129098
2-(2-methoxyphenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126355
2-(2,6-dichlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126528
2-(3-chloro-4-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103128466
2-amino-2-(1-methylindazol-3-yl)ethanol
CID 82604101
2-(3-chloro-4-pyridinyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103127460
1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 103127966
2-(3-chlorophenyl)-1-(1-methylindazol-3-yl)ethanamine
CID 103126026
1-(1-methylindazol-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 103127544
3-(difluoromethyl)-1-methylindazole
CID 153487584
(1S)-1-(1-methylindazol-3-yl)ethanamine
CID 96741257
2-(5-bromo-2-fluorophenyl)-1-(1-methylindazol-3-yl)ethanol
CID 103128662

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine?
The IUPAC name of 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine (CID 103127876) is 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine is Cn1nc(C(N)Cc2cccc(F)c2Br)c2ccccc21.
What is the InChIKey of 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine?
The InChIKey is SQZZSYDHJDSKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3/c1-21-14-8-3-2-6-11(14)16(20-21)13(19)9-10-5-4-7-12(18)15(10)17/h2-8,13H,9,19H2,1H3.
What are the key properties of 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine?
2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine has a molecular weight of 348.22 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-3-fluorophenyl)-1-(1-methylindazol-3-yl)ethanamine is sourced from PubChem (CID 103127876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).