1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine

C21H22FN3O2 — CID 74237501

IUPAC1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
SMILESCOc1ccc(CN(C)Cc2cnccn2)cc1OCc1cccc(F)c1
InChIInChI=1S/C21H22FN3O2/c1-25(14-19-12-23-8-9-24-19)13-16-6-7-20(26-2)21(11-16)27-15-17-4-3-5-18(22)10-17/h3-12H,13-15H2,1-2H3
InChIKeyIMBBRFGTSWBJFX-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.84
Rot. Bonds8

About 1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine

1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine (PubChem CID 74237501) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is 1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
PubChem CID74237501
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
SMILESCOc1ccc(CN(C)Cc2cnccn2)cc1OCc1cccc(F)c1
InChIInChI=1S/C21H22FN3O2/c1-25(14-19-12-23-8-9-24-19)13-16-6-7-20(26-2)21(11-16)27-15-17-4-3-5-18(22)10-17/h3-12H,13-15H2,1-2H3
InChIKeyIMBBRFGTSWBJFX-UHFFFAOYSA-N
XLogP3.84
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N,N-dimethylpropan-1-amine
CID 170866274
4-(chloromethyl)-1-[(3-fluorophenyl)methoxy]-2-methoxybenzene
CID 29053593
[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]methanamine
CID 43122520
1-[[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-2-phenylhydrazine
CID 169385669
2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide
CID 77097544
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418
(3aS,6aR)-2-[[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 139598668
2-fluoro-4-[(3-fluorophenoxy)methyl]-1-methoxybenzene
CID 60628032
N-[(6-chloro-3-pyridinyl)methyl]-1-(3-fluorophenyl)-N-methylmethanamine
CID 28802343
N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine
CID 74239331
3-[[4-(bromomethyl)-2-methoxyphenoxy]methyl]pyridine
CID 43324725
5-[[(3-fluorophenyl)methyl-methylamino]methyl]-N-methylpyrazin-2-amine
CID 103055545

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine?
The IUPAC name of 1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine (CID 74237501) is 1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine is COc1ccc(CN(C)Cc2cnccn2)cc1OCc1cccc(F)c1.
What is the InChIKey of 1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine?
The InChIKey is IMBBRFGTSWBJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-25(14-19-12-23-8-9-24-19)13-16-6-7-20(26-2)21(11-16)27-15-17-4-3-5-18(22)10-17/h3-12H,13-15H2,1-2H3.
What are the key properties of 1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine?
1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine has a molecular weight of 367.42 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine is sourced from PubChem (CID 74237501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).