N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine

C14H14F3N3O — CID 62917910

IUPACN-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(OC(F)(F)F)c1)c1cnccn1
InChIInChI=1S/C14H14F3N3O/c1-2-19-13(12-9-18-6-7-20-12)10-4-3-5-11(8-10)21-14(15,16)17/h3-9,13,19H,2H2,1H3
InChIKeyMTHCMUZATBDZCY-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.07
Rot. Bonds5

About N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine

N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 62917910) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID62917910
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCCNC(c1cccc(OC(F)(F)F)c1)c1cnccn1
InChIInChI=1S/C14H14F3N3O/c1-2-19-13(12-9-18-6-7-20-12)10-4-3-5-11(8-10)21-14(15,16)17/h3-9,13,19H,2H2,1H3
InChIKeyMTHCMUZATBDZCY-UHFFFAOYSA-N
XLogP3.07
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dichlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62537896
N-[(4-methylthiadiazol-5-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 105145860
N-[(5-bromofuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115854117
N-[(3-methylfuran-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 104805493
N-[pyrazin-2-yl(quinolin-7-yl)methyl]ethanamine
CID 81231514
N-[(3-chlorothiophen-2-yl)-[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 115854136
N-[(3-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819603
N-ethyl-N',N'-dimethyl-1-[3-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 79093108
N-ethyl-1-[3-(trifluoromethoxy)phenyl]hexan-1-amine
CID 115854010
N-[pyrazin-2-yl-[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 105150068
N-methyl-1-(3-methyl-2-pyridinyl)-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916892
N-[(2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62500611

Frequently Asked Questions

What is the IUPAC name of N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 62917910) is N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine is CCNC(c1cccc(OC(F)(F)F)c1)c1cnccn1.
What is the InChIKey of N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is MTHCMUZATBDZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-2-19-13(12-9-18-6-7-20-12)10-4-3-5-11(8-10)21-14(15,16)17/h3-9,13,19H,2H2,1H3.
What are the key properties of N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 297.28 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[pyrazin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 62917910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).