N-[(4-methylphenyl)methyl]-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine

C21H23N3O — CID 173093573

IUPACN-[(4-methylphenyl)methyl]-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine
SMILESCc1ccc(CNC(C)c2cccc(Oc3cncc(C)n3)c2)cc1
InChIInChI=1S/C21H23N3O/c1-15-7-9-18(10-8-15)13-23-17(3)19-5-4-6-20(11-19)25-21-14-22-12-16(2)24-21/h4-12,14,17,23H,13H2,1-3H3
InChIKeyDTNQXSDJYRQGMD-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.74
Rot. Bonds6

About N-[(4-methylphenyl)methyl]-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine

N-[(4-methylphenyl)methyl]-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine (PubChem CID 173093573) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine
PubChem CID173093573
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-[(4-methylphenyl)methyl]-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine
SMILESCc1ccc(CNC(C)c2cccc(Oc3cncc(C)n3)c2)cc1
InChIInChI=1S/C21H23N3O/c1-15-7-9-18(10-8-15)13-23-17(3)19-5-4-6-20(11-19)25-21-14-22-12-16(2)24-21/h4-12,14,17,23H,13H2,1-3H3
InChIKeyDTNQXSDJYRQGMD-UHFFFAOYSA-N
XLogP4.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethylphenoxy)-6-methylpyrazine
CID 126676392
(1R)-1-(3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 28712390
N-[(4-methylphenyl)methyl]-1-phenylethanamine;hydrochloride
CID 15945718
(1S)-1-(3-methylphenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104756791
N-methyl-6-(3-propan-2-ylphenoxy)pyrazin-2-amine
CID 80863588
(1S)-N-[(4-ethoxyphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364175
(1R)-1-(3-methylphenyl)-N-[(4-propan-2-ylphenyl)methyl]ethanamine
CID 81363211
(1R)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81364360
(1S)-N-[(4-ethylphenyl)methyl]-1-(3-methylphenyl)ethanamine
CID 81361545
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
(1R)-N-[[4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 29186393

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine?
The IUPAC name of N-[(4-methylphenyl)methyl]-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine (CID 173093573) is N-[(4-methylphenyl)methyl]-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine is Cc1ccc(CNC(C)c2cccc(Oc3cncc(C)n3)c2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine?
The InChIKey is DTNQXSDJYRQGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15-7-9-18(10-8-15)13-23-17(3)19-5-4-6-20(11-19)25-21-14-22-12-16(2)24-21/h4-12,14,17,23H,13H2,1-3H3.
What are the key properties of N-[(4-methylphenyl)methyl]-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine?
N-[(4-methylphenyl)methyl]-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine has a molecular weight of 333.44 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-1-[3-(6-methylpyrazin-2-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 173093573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).