2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine

C16H21N3O — CID 66451944

IUPAC2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1cncc(OCc2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-16(2,3)18-10-14-9-17-11-15(19-14)20-12-13-7-5-4-6-8-13/h4-9,11,18H,10,12H2,1-3H3
InChIKeyJVFVUOVJDNKZQO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.94
Rot. Bonds5

About 2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine

2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine (PubChem CID 66451944) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine
PubChem CID66451944
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine
SMILESCC(C)(C)NCc1cncc(OCc2ccccc2)n1
InChIInChI=1S/C16H21N3O/c1-16(2,3)18-10-14-9-17-11-15(19-14)20-12-13-7-5-4-6-8-13/h4-9,11,18H,10,12H2,1-3H3
InChIKeyJVFVUOVJDNKZQO-UHFFFAOYSA-N
XLogP2.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine (CID 66451944) is 2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine is CC(C)(C)NCc1cncc(OCc2ccccc2)n1.
What is the InChIKey of 2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine?
The InChIKey is JVFVUOVJDNKZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,3)18-10-14-9-17-11-15(19-14)20-12-13-7-5-4-6-8-13/h4-9,11,18H,10,12H2,1-3H3.
What are the key properties of 2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine?
2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine has a molecular weight of 271.36 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(6-phenylmethoxypyrazin-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 66451944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).