N-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine

C17H23N3O — CID 62845690

IUPACN-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(C)NCc2cnc(C)cn2)cc1
InChIInChI=1S/C17H23N3O/c1-4-9-21-17-7-5-15(6-8-17)14(3)19-12-16-11-18-13(2)10-20-16/h5-8,10-11,14,19H,4,9,12H2,1-3H3
InChIKeyUBUXIMVVPHVMGK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.42
Rot. Bonds7

About N-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine

N-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine (PubChem CID 62845690) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
PubChem CID62845690
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(C)NCc2cnc(C)cn2)cc1
InChIInChI=1S/C17H23N3O/c1-4-9-21-17-7-5-15(6-8-17)14(3)19-12-16-11-18-13(2)10-20-16/h5-8,10-11,14,19H,4,9,12H2,1-3H3
InChIKeyUBUXIMVVPHVMGK-UHFFFAOYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[1-[(5-methylpyrazin-2-yl)methylamino]ethyl]phenoxy]acetonitrile
CID 62847896
(1R)-1-(4-methylphenyl)-N-[(4-propoxyphenyl)methyl]ethanamine
CID 81347006
1-(4-propoxyphenyl)-N-(1H-pyrazol-4-ylmethyl)ethanamine
CID 54897283
N-[(5-methylfuran-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine
CID 62048598
4-[1-(4-propoxyphenyl)ethylamino]butan-2-ol
CID 64913817
N-[(5-methylpyrazin-2-yl)methyl]pentan-2-amine
CID 62846047
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62414083
2-N,2-N-dimethyl-1-N-[1-(4-propoxyphenyl)ethyl]propane-1,2-diamine
CID 54912857
2-methoxy-N-[1-(4-propoxyphenyl)ethyl]propan-1-amine
CID 102696755
5-methoxy-N-[1-(4-propoxyphenyl)ethyl]pentan-1-amine
CID 103779924
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 103777249
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1-(4-propoxyphenyl)ethanamine
CID 63238910

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine (CID 62845690) is N-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(C)NCc2cnc(C)cn2)cc1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine?
The InChIKey is UBUXIMVVPHVMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-9-21-17-7-5-15(6-8-17)14(3)19-12-16-11-18-13(2)10-20-16/h5-8,10-11,14,19H,4,9,12H2,1-3H3.
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine?
N-[(5-methylpyrazin-2-yl)methyl]-1-(4-propoxyphenyl)ethanamine has a molecular weight of 285.39 g/mol, XLogP of 3.42, 7 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-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 62845690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).