N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine

C15H18FN3O — CID 105144595

IUPACN-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(F)c1)c1cnc(C)cn1
InChIInChI=1S/C15H18FN3O/c1-4-17-15(13-9-18-10(2)8-19-13)11-5-6-14(20-3)12(16)7-11/h5-9,15,17H,4H2,1-3H3
InChIKeyMDUHCOAHNYGNQL-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.63
Rot. Bonds5

About N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine

N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine (PubChem CID 105144595) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
PubChem CID105144595
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC NameN-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(OC)c(F)c1)c1cnc(C)cn1
InChIInChI=1S/C15H18FN3O/c1-4-17-15(13-9-18-10(2)8-19-13)11-5-6-14(20-3)12(16)7-11/h5-9,15,17H,4H2,1-3H3
InChIKeyMDUHCOAHNYGNQL-UHFFFAOYSA-N
XLogP2.63
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)-(2-methyl-4-pyridinyl)methyl]ethanamine
CID 106755268
N-[(3-fluoro-4-methoxyphenyl)-(6-methoxypyrimidin-4-yl)methyl]ethanamine
CID 102951792
N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105093021
N-[(3-fluoro-4-methoxyphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023078
N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 107130264
N-[(3,5-dichloro-2-pyridinyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 79783700
N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 115816115
N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105097208
N-[(2,4-dimethylphenyl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 43493809
N-[(3-fluoro-4-methoxyphenyl)-(2-methylsulfanylphenyl)methyl]ethanamine
CID 79212686
N-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105140288
N-ethyl-1-(3-fluoro-4-methoxyphenyl)propan-1-amine
CID 43493752

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine (CID 105144595) is N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine is CCNC(c1ccc(OC)c(F)c1)c1cnc(C)cn1.
What is the InChIKey of N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The InChIKey is MDUHCOAHNYGNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-4-17-15(13-9-18-10(2)8-19-13)11-5-6-14(20-3)12(16)7-11/h5-9,15,17H,4H2,1-3H3.
What are the key properties of N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine has a molecular weight of 275.33 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 105144595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).