5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline

C14H17N3O — CID 113354050

IUPAC5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline
SMILESCOc1ccc(C)c(NC(C)c2cnccn2)c1
InChIInChI=1S/C14H17N3O/c1-10-4-5-12(18-3)8-13(10)17-11(2)14-9-15-6-7-16-14/h4-9,11,17H,1-3H3
InChIKeyBBLQCZSJSWMZSC-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.97
Rot. Bonds4

About 5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline

5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline (PubChem CID 113354050) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline.

Molecular Properties

Compound Name5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline
PubChem CID113354050
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline
SMILESCOc1ccc(C)c(NC(C)c2cnccn2)c1
InChIInChI=1S/C14H17N3O/c1-10-4-5-12(18-3)8-13(10)17-11(2)14-9-15-6-7-16-14/h4-9,11,17H,1-3H3
InChIKeyBBLQCZSJSWMZSC-UHFFFAOYSA-N
XLogP2.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine
CID 103777713
2-bromo-5-chloro-4-methyl-N-(1-pyrazin-2-ylethyl)aniline
CID 104722681
3-iodo-2-methyl-N-(1-pyrazin-2-ylethyl)aniline
CID 113368982
1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 62801136
5-methyl-N-(1-pyrazin-2-ylethyl)pyridin-2-amine
CID 115917057
[(4-methoxyphenyl)-pyrazin-2-ylmethyl]hydrazine
CID 105190970
2,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43196549
N-[(4-methoxyphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 60819950
2-[1-(2,5-dimethylanilino)ethyl]-5-methoxyphenol
CID 43201643
3-N-[1-(4-methoxyphenyl)ethyl]-4-methylbenzene-1,3-diamine
CID 66195446
3-methoxy-N-(1-pyridin-2-ylethyl)aniline
CID 43196359
N-[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethyl]pyrazin-2-amine
CID 133291938

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline?
The IUPAC name of 5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline (CID 113354050) is 5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline.
What is the SMILES notation for 5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline?
The canonical SMILES for 5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline is COc1ccc(C)c(NC(C)c2cnccn2)c1.
What is the InChIKey of 5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline?
The InChIKey is BBLQCZSJSWMZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-5-12(18-3)8-13(10)17-11(2)14-9-15-6-7-16-14/h4-9,11,17H,1-3H3.
What are the key properties of 5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline?
5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline has a molecular weight of 243.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline is sourced from PubChem (CID 113354050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).