1-(5-bromo-2-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]methanamine

C16H15BrFN3 — CID 62998456

IUPAC1-(5-bromo-2-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]methanamine
SMILESCn1nc(CNCc2cc(Br)ccc2F)c2ccccc21
InChIInChI=1S/C16H15BrFN3/c1-21-16-5-3-2-4-13(16)15(20-21)10-19-9-11-8-12(17)6-7-14(11)18/h2-8,19H,9-10H2,1H3
InChIKeyVISKNPBWPWNJGH-UHFFFAOYSA-N
MW348.22 g/mol
LogP3.76
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]methanamine

1-(5-bromo-2-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]methanamine (PubChem CID 62998456) has the molecular formula C16H15BrFN3 and a molecular weight of 348.22 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]methanamine
PubChem CID62998456
Molecular FormulaC16H15BrFN3
Molecular Weight348.22 g/mol
Exact Mass347.04
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]methanamine
SMILESCn1nc(CNCc2cc(Br)ccc2F)c2ccccc21
InChIInChI=1S/C16H15BrFN3/c1-21-16-5-3-2-4-13(16)15(20-21)10-19-9-11-8-12(17)6-7-14(11)18/h2-8,19H,9-10H2,1H3
InChIKeyVISKNPBWPWNJGH-UHFFFAOYSA-N
XLogP3.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.22
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]methanamine (CID 62998456) is 1-(5-bromo-2-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]methanamine is Cn1nc(CNCc2cc(Br)ccc2F)c2ccccc21.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]methanamine?
The InChIKey is VISKNPBWPWNJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN3/c1-21-16-5-3-2-4-13(16)15(20-21)10-19-9-11-8-12(17)6-7-14(11)18/h2-8,19H,9-10H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]methanamine?
1-(5-bromo-2-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]methanamine has a molecular weight of 348.22 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]methanamine is sourced from PubChem (CID 62998456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).