1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine

C15H18BrN3 — CID 62845889

IUPAC1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1cnc(C)cn1)c1cccc(Br)c1
InChIInChI=1S/C15H18BrN3/c1-3-15(12-5-4-6-13(16)7-12)19-10-14-9-17-11(2)8-18-14/h4-9,15,19H,3,10H2,1-2H3
InChIKeyCXNNRFSBWKZIQE-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.79
Rot. Bonds5

About 1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine

1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine (PubChem CID 62845889) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine
PubChem CID62845889
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine
SMILESCCC(NCc1cnc(C)cn1)c1cccc(Br)c1
InChIInChI=1S/C15H18BrN3/c1-3-15(12-5-4-6-13(16)7-12)19-10-14-9-17-11(2)8-18-14/h4-9,15,19H,3,10H2,1-2H3
InChIKeyCXNNRFSBWKZIQE-UHFFFAOYSA-N
XLogP3.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 61282183
(1R)-1-(3-bromophenyl)-N-[(5-bromo-2-pyridinyl)methyl]ethanamine
CID 81381332
N-[1-(3-bromophenyl)propyl]butan-1-amine
CID 43759360
N-[1-(3-bromophenyl)propyl]but-2-yn-1-amine
CID 115897043
3,3,3-trifluoro-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpropan-1-amine
CID 62847357
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62414083
(2R)-1-[[(1R)-1-(3-bromophenyl)propyl]amino]propan-2-ol
CID 93288110
1-(4-bromophenyl)-N-[(6-methyl-2-pyridinyl)methyl]propan-1-amine
CID 62321246
N-(1,3-benzothiazol-2-ylmethyl)-1-(3-bromophenyl)propan-1-amine
CID 43768933
1-[1-(3-bromophenyl)propylamino]-2-methylpropan-2-ol
CID 65103778
N-[1-(3-bromophenyl)propyl]butan-2-amine
CID 43756359
1-(3-bromophenyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]propan-1-amine
CID 115888652

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of 1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine (CID 62845889) is 1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for 1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine is CCC(NCc1cnc(C)cn1)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is CXNNRFSBWKZIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-3-15(12-5-4-6-13(16)7-12)19-10-14-9-17-11(2)8-18-14/h4-9,15,19H,3,10H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine?
1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 320.23 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-[(5-methylpyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 62845889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).