1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine

C17H20BrN3 — CID 84588098

IUPAC1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNC(c2ccc(Br)cc2)C2CCC2)cn1
InChIInChI=1S/C17H20BrN3/c1-12-9-20-16(10-19-12)11-21-17(13-3-2-4-13)14-5-7-15(18)8-6-14/h5-10,13,17,21H,2-4,11H2,1H3
InChIKeyFYYKIAOMBVUMTQ-UHFFFAOYSA-N
MW346.27 g/mol
LogP4.18
Rot. Bonds5

About 1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine

1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine (PubChem CID 84588098) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine
PubChem CID84588098
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC Name1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine
SMILESCc1cnc(CNC(c2ccc(Br)cc2)C2CCC2)cn1
InChIInChI=1S/C17H20BrN3/c1-12-9-20-16(10-19-12)11-21-17(13-3-2-4-13)14-5-7-15(18)8-6-14/h5-10,13,17,21H,2-4,11H2,1H3
InChIKeyFYYKIAOMBVUMTQ-UHFFFAOYSA-N
XLogP4.18
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The IUPAC name of 1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine (CID 84588098) is 1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The canonical SMILES for 1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine is Cc1cnc(CNC(c2ccc(Br)cc2)C2CCC2)cn1.
What is the InChIKey of 1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
The InChIKey is FYYKIAOMBVUMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c1-12-9-20-16(10-19-12)11-21-17(13-3-2-4-13)14-5-7-15(18)8-6-14/h5-10,13,17,21H,2-4,11H2,1H3.
What are the key properties of 1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine?
1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine has a molecular weight of 346.27 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine is sourced from PubChem (CID 84588098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).