[3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine

C14H17N3O — CID 107657466

IUPAC[3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine
SMILESCc1cnc(C)c(Oc2cc(CN)ccc2C)n1
InChIInChI=1S/C14H17N3O/c1-9-4-5-12(7-15)6-13(9)18-14-11(3)16-8-10(2)17-14/h4-6,8H,7,15H2,1-3H3
InChIKeyIOIPEDGNZGUUPZ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.65
Rot. Bonds3

About [3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine

[3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine (PubChem CID 107657466) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine.

Molecular Properties

Compound Name[3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine
PubChem CID107657466
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine
SMILESCc1cnc(C)c(Oc2cc(CN)ccc2C)n1
InChIInChI=1S/C14H17N3O/c1-9-4-5-12(7-15)6-13(9)18-14-11(3)16-8-10(2)17-14/h4-6,8H,7,15H2,1-3H3
InChIKeyIOIPEDGNZGUUPZ-UHFFFAOYSA-N
XLogP2.65
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methyl-3-quinoxalin-2-yloxyphenyl)methanamine
CID 107657381
4-[5-(aminomethyl)-2-methylphenoxy]-5-chloro-1H-pyrimidin-6-one
CID 107657400
(4-methyl-3-thieno[3,2-d]pyrimidin-4-yloxyphenyl)methanamine
CID 107657529
[3-(cyclopropylmethoxy)-4-methylphenyl]methanamine
CID 107655653
[3-(4-bromophenoxy)-4-methylphenyl]methanamine
CID 105406673
[4-methyl-3-(1,3,4-thiadiazol-2-yloxy)phenyl]methanamine
CID 107657383
[3-(4-tert-butylphenoxy)-4-methylphenyl]methanamine
CID 105406659
(4-methyl-3-quinolin-5-yloxyphenyl)methanamine
CID 103045285
[3-(3-methoxypropoxy)-4-methylphenyl]methanamine
CID 107655823
[3-(2,5-dibromo-4-methoxyphenoxy)-4-methylphenyl]methanamine
CID 105407420
[3-[2-(4-methoxyphenoxy)ethoxy]-4-methylphenyl]methanamine
CID 107655709
4-[5-(aminomethyl)-2-methylphenoxy]butan-1-ol
CID 107655616

Frequently Asked Questions

What is the IUPAC name of [3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine?
The IUPAC name of [3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine (CID 107657466) is [3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine.
What is the SMILES notation for [3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine?
The canonical SMILES for [3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine is Cc1cnc(C)c(Oc2cc(CN)ccc2C)n1.
What is the InChIKey of [3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine?
The InChIKey is IOIPEDGNZGUUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9-4-5-12(7-15)6-13(9)18-14-11(3)16-8-10(2)17-14/h4-6,8H,7,15H2,1-3H3.
What are the key properties of [3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine?
[3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine has a molecular weight of 243.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,6-dimethylpyrazin-2-yl)oxy-4-methylphenyl]methanamine is sourced from PubChem (CID 107657466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).