N-(pyrazin-2-ylmethyl)-3-(2,2,2-trifluoro-1-methoxyethyl)aniline

C14H14F3N3O — CID 167847125

IUPACN-(pyrazin-2-ylmethyl)-3-(2,2,2-trifluoro-1-methoxyethyl)aniline
SMILESCOC(c1cccc(NCc2cnccn2)c1)C(F)(F)F
InChIInChI=1S/C14H14F3N3O/c1-21-13(14(15,16)17)10-3-2-4-11(7-10)20-9-12-8-18-5-6-19-12/h2-8,13,20H,9H2,1H3
InChIKeyOZFDFQWRHWOSCP-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.34
Rot. Bonds5

About N-(pyrazin-2-ylmethyl)-3-(2,2,2-trifluoro-1-methoxyethyl)aniline

N-(pyrazin-2-ylmethyl)-3-(2,2,2-trifluoro-1-methoxyethyl)aniline (PubChem CID 167847125) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-(pyrazin-2-ylmethyl)-3-(2,2,2-trifluoro-1-methoxyethyl)aniline.

Molecular Properties

Compound NameN-(pyrazin-2-ylmethyl)-3-(2,2,2-trifluoro-1-methoxyethyl)aniline
PubChem CID167847125
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-(pyrazin-2-ylmethyl)-3-(2,2,2-trifluoro-1-methoxyethyl)aniline
SMILESCOC(c1cccc(NCc2cnccn2)c1)C(F)(F)F
InChIInChI=1S/C14H14F3N3O/c1-21-13(14(15,16)17)10-3-2-4-11(7-10)20-9-12-8-18-5-6-19-12/h2-8,13,20H,9H2,1H3
InChIKeyOZFDFQWRHWOSCP-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methoxyethoxymethyl)-N-(pyrazin-2-ylmethyl)aniline
CID 62761310
N-(pyrazin-2-ylmethyl)-3-pyrrol-1-ylaniline
CID 62761120
3-chloro-4-(difluoromethoxy)-N-(pyrazin-2-ylmethyl)aniline
CID 62763227
3-(4-methyl-1,2,4-triazol-3-yl)-N-(pyrazin-2-ylmethyl)aniline
CID 62761649
1-N-ethyl-4-N-(pyrazin-2-ylmethyl)benzene-1,4-diamine
CID 83962412
3-imidazol-1-yl-N-(pyrazin-2-ylmethyl)aniline
CID 55110075
N-methyl-N-[[3-(pyrazin-2-ylmethylamino)phenyl]methyl]acetamide
CID 62762354
4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline
CID 55109980
3-(2,2,2-trifluoro-1-methoxyethyl)aniline
CID 68987189
N-methyl-1-[3-(2,2,2-trifluoro-1-methoxyethyl)phenyl]ethanamine
CID 84737499
tert-butyl N-[2-fluoro-5-(pyrazin-2-ylmethylamino)phenyl]carbamate
CID 107240673
N-(pyrazin-2-ylmethyl)-2-(trifluoromethyl)aniline
CID 55110167

Frequently Asked Questions

What is the IUPAC name of N-(pyrazin-2-ylmethyl)-3-(2,2,2-trifluoro-1-methoxyethyl)aniline?
The IUPAC name of N-(pyrazin-2-ylmethyl)-3-(2,2,2-trifluoro-1-methoxyethyl)aniline (CID 167847125) is N-(pyrazin-2-ylmethyl)-3-(2,2,2-trifluoro-1-methoxyethyl)aniline.
What is the SMILES notation for N-(pyrazin-2-ylmethyl)-3-(2,2,2-trifluoro-1-methoxyethyl)aniline?
The canonical SMILES for N-(pyrazin-2-ylmethyl)-3-(2,2,2-trifluoro-1-methoxyethyl)aniline is COC(c1cccc(NCc2cnccn2)c1)C(F)(F)F.
What is the InChIKey of N-(pyrazin-2-ylmethyl)-3-(2,2,2-trifluoro-1-methoxyethyl)aniline?
The InChIKey is OZFDFQWRHWOSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-21-13(14(15,16)17)10-3-2-4-11(7-10)20-9-12-8-18-5-6-19-12/h2-8,13,20H,9H2,1H3.
What are the key properties of N-(pyrazin-2-ylmethyl)-3-(2,2,2-trifluoro-1-methoxyethyl)aniline?
N-(pyrazin-2-ylmethyl)-3-(2,2,2-trifluoro-1-methoxyethyl)aniline has a molecular weight of 297.28 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrazin-2-ylmethyl)-3-(2,2,2-trifluoro-1-methoxyethyl)aniline is sourced from PubChem (CID 167847125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).