N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine

C16H21N3O — CID 62848075

IUPACN-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
SMILESCc1cnc(CNCc2ccccc2OC(C)C)cn1
InChIInChI=1S/C16H21N3O/c1-12(2)20-16-7-5-4-6-14(16)9-17-10-15-11-18-13(3)8-19-15/h4-8,11-12,17H,9-10H2,1-3H3
InChIKeyVUPMNTVDGCYBOE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.86
Rot. Bonds6

About N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine

N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine (PubChem CID 62848075) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
PubChem CID62848075
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
SMILESCc1cnc(CNCc2ccccc2OC(C)C)cn1
InChIInChI=1S/C16H21N3O/c1-12(2)20-16-7-5-4-6-14(16)9-17-10-15-11-18-13(3)8-19-15/h4-8,11-12,17H,9-10H2,1-3H3
InChIKeyVUPMNTVDGCYBOE-UHFFFAOYSA-N
XLogP2.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-propan-2-yloxyphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 39358305
2-[2-[[(5-methylpyrazin-2-yl)methylamino]methyl]phenoxy]acetonitrile
CID 62847895
1-(2-chlorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62846595
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 103700595
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
N-[(3-ethyl-2-pyridinyl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine
CID 82733879
2-(2-methoxyphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 63172671
1-[(5-methylpyrazin-2-yl)methylamino]propan-2-ol
CID 62847369
1-(1-benzothiophen-3-yl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62848267
3-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 115733033
2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43221119
4-[[(5-methylpyrazin-2-yl)methylamino]methyl]benzene-1,2,3-triol
CID 107730827

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine (CID 62848075) is N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine is Cc1cnc(CNCc2ccccc2OC(C)C)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine?
The InChIKey is VUPMNTVDGCYBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)20-16-7-5-4-6-14(16)9-17-10-15-11-18-13(3)8-19-15/h4-8,11-12,17H,9-10H2,1-3H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine?
N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine has a molecular weight of 271.36 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-1-(2-propan-2-yloxyphenyl)methanamine is sourced from PubChem (CID 62848075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).