1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine

C13H13ClFN3O — CID 104515629

IUPAC1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1F)c1nccnc1OC
InChIInChI=1S/C13H13ClFN3O/c1-16-11(8-4-3-5-9(14)10(8)15)12-13(19-2)18-7-6-17-12/h3-7,11,16H,1-2H3
InChIKeyVFAICSXNAKYZIE-UHFFFAOYSA-N
MW281.72 g/mol
LogP2.59
Rot. Bonds4

About 1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine

1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (PubChem CID 104515629) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
PubChem CID104515629
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
SMILESCNC(c1cccc(Cl)c1F)c1nccnc1OC
InChIInChI=1S/C13H13ClFN3O/c1-16-11(8-4-3-5-9(14)10(8)15)12-13(19-2)18-7-6-17-12/h3-7,11,16H,1-2H3
InChIKeyVFAICSXNAKYZIE-UHFFFAOYSA-N
XLogP2.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dichlorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032038
1-(3-methoxypyrazin-2-yl)-N-methyl-1-(2-methyl-3-pyridinyl)methanamine
CID 105178585
1-(3-chloro-2-fluorophenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 64714340
1-(2,5-dichlorothiophen-3-yl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 114022188
1-(2-fluoro-3-methoxyphenyl)-1-(2-methoxy-3-pyridinyl)-N-methylmethanamine
CID 105174824
1-(4-ethoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032032
1-(3-methoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104515256
1-(2-fluoro-3-methoxyphenyl)-N-methyl-1-(3-methyl-2-pyridinyl)methanamine
CID 82808124
1-(3-bromo-2-pyridinyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 104516094
1-(2,6-dichlorophenyl)-1-(2-fluoro-3-methoxyphenyl)-N-methylmethanamine
CID 105025001
[(3-methoxypyrazin-2-yl)-(2-methylsulfanylphenyl)methyl]hydrazine
CID 105332642
1-(2,4-dimethoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105031778

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine (CID 104515629) is 1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is CNC(c1cccc(Cl)c1F)c1nccnc1OC.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
The InChIKey is VFAICSXNAKYZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-16-11(8-4-3-5-9(14)10(8)15)12-13(19-2)18-7-6-17-12/h3-7,11,16H,1-2H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine?
1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine has a molecular weight of 281.72 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine is sourced from PubChem (CID 104515629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).