N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine

C14H16FN3 — CID 105093021

IUPACN-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1cnc(C)cn1
InChIInChI=1S/C14H16FN3/c1-3-16-14(11-5-4-6-12(15)7-11)13-9-17-10(2)8-18-13/h4-9,14,16H,3H2,1-2H3
InChIKeyVMTSUQVYKGXEIB-UHFFFAOYSA-N
MW245.30 g/mol
LogP2.62
Rot. Bonds4

About N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine

N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine (PubChem CID 105093021) has the molecular formula C14H16FN3 and a molecular weight of 245.30 g/mol. Its IUPAC name is N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
PubChem CID105093021
Molecular FormulaC14H16FN3
Molecular Weight245.30 g/mol
Exact Mass245.13
IUPAC NameN-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1cccc(F)c1)c1cnc(C)cn1
InChIInChI=1S/C14H16FN3/c1-3-16-14(11-5-4-6-12(15)7-11)13-9-17-10(2)8-18-13/h4-9,14,16H,3H2,1-2H3
InChIKeyVMTSUQVYKGXEIB-UHFFFAOYSA-N
XLogP2.62
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105144595
N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105097208
N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105171117
N-[(2,6-dimethyl-3-pyridinyl)-(3-fluorophenyl)methyl]ethanamine
CID 105092816
N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 107130264
N-[(3,4-dichlorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43492851
N-[(3-bromo-2,6-difluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 106944465
N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 106883536
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62414083
N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105142310
N-[(2,5-difluorophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43490212
N-[(4-bromophenyl)-(3-fluorophenyl)methyl]ethanamine
CID 43488690

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine (CID 105093021) is N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine is CCNC(c1cccc(F)c1)c1cnc(C)cn1.
What is the InChIKey of N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The InChIKey is VMTSUQVYKGXEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3/c1-3-16-14(11-5-4-6-12(15)7-11)13-9-17-10(2)8-18-13/h4-9,14,16H,3H2,1-2H3.
What are the key properties of N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine has a molecular weight of 245.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 105093021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).