1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine

C20H21N3O — CID 22391578

IUPAC1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine
SMILESCOc1cccc(C(C)NCc2cccc(-c3cnccn3)c2)c1
InChIInChI=1S/C20H21N3O/c1-15(17-6-4-8-19(12-17)24-2)23-13-16-5-3-7-18(11-16)20-14-21-9-10-22-20/h3-12,14-15,23H,13H2,1-2H3
InChIKeyNWXCOUAVLLJQEL-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.00
Rot. Bonds6

About 1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine

1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine (PubChem CID 22391578) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine
PubChem CID22391578
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine
SMILESCOc1cccc(C(C)NCc2cccc(-c3cnccn3)c2)c1
InChIInChI=1S/C20H21N3O/c1-15(17-6-4-8-19(12-17)24-2)23-13-16-5-3-7-18(11-16)20-14-21-9-10-22-20/h3-12,14-15,23H,13H2,1-2H3
InChIKeyNWXCOUAVLLJQEL-UHFFFAOYSA-N
XLogP4.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(2-fluorophenyl)phenyl]methyl]-1-(3-methoxyphenyl)ethanamine
CID 22391318
(1R)-1-(3-methoxyphenyl)-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 28712390
(1R)-N-[(3,4-dichlorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376275
(1R)-1-(3-methoxyphenyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 59803177
N-[[4-(difluoromethoxy)-3-pyridin-3-ylphenyl]methyl]-1-(3-methoxyphenyl)ethanamine
CID 22391576
(1S)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649457
(1R)-1-(3-chlorophenyl)-N-[(3-methoxyphenyl)methyl]ethanamine
CID 28649459
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54976078
(1R)-1-(3-methoxyphenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 81376061
(1R)-N-[(3,4-difluorophenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81376127
1-(3-methoxyphenyl)-N-[(1-methylpyrazol-4-yl)methyl]ethanamine
CID 60945948
N-[(3-methoxyphenyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43221152

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine (CID 22391578) is 1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine is COc1cccc(C(C)NCc2cccc(-c3cnccn3)c2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine?
The InChIKey is NWXCOUAVLLJQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15(17-6-4-8-19(12-17)24-2)23-13-16-5-3-7-18(11-16)20-14-21-9-10-22-20/h3-12,14-15,23H,13H2,1-2H3.
What are the key properties of 1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine?
1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine has a molecular weight of 319.41 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[(3-pyrazin-2-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 22391578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).