2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline

C12H12ClN3O — CID 62762564

IUPAC2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline
SMILESCOc1ccc(Cl)c(NCc2cnccn2)c1
InChIInChI=1S/C12H12ClN3O/c1-17-10-2-3-11(13)12(6-10)16-8-9-7-14-4-5-15-9/h2-7,16H,8H2,1H3
InChIKeyKSSBXAJYQMBHFH-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.75
Rot. Bonds4

About 2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline

2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline (PubChem CID 62762564) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline
PubChem CID62762564
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline
SMILESCOc1ccc(Cl)c(NCc2cnccn2)c1
InChIInChI=1S/C12H12ClN3O/c1-17-10-2-3-11(13)12(6-10)16-8-9-7-14-4-5-15-9/h2-7,16H,8H2,1H3
InChIKeyKSSBXAJYQMBHFH-UHFFFAOYSA-N
XLogP2.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-methoxy-N-[(1-methylpyrazol-3-yl)methyl]aniline
CID 82867022
2-chloro-N-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methoxyaniline
CID 168583076
1-(4-methoxyphenyl)-N-(pyrazin-2-ylmethyl)methanamine
CID 62761074
2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline
CID 65315824
1-chloro-3-(2-chloro-5-methoxyanilino)propan-2-ol
CID 168636469
4-(2-methoxyethoxy)-N-(pyrazin-2-ylmethyl)aniline
CID 55109980
2-chloro-N-[(2,5-dimethylphenyl)methyl]-5-methoxyaniline
CID 55192756
2-chloro-N-(furan-3-ylmethyl)-5-methoxyaniline
CID 63204279
5-[(dimethylamino)methyl]-2-methoxy-N-(pyrazin-2-ylmethyl)aniline
CID 62761096
2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-5-methoxyaniline
CID 55033030
N-[(2-bromo-5-chlorophenyl)methyl]-2-chloro-5-methoxyaniline
CID 66160167
3-chloro-N-(pyrazin-2-ylmethyl)-2-pyrazol-1-ylaniline
CID 62761834

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline?
The IUPAC name of 2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline (CID 62762564) is 2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline?
The canonical SMILES for 2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline is COc1ccc(Cl)c(NCc2cnccn2)c1.
What is the InChIKey of 2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline?
The InChIKey is KSSBXAJYQMBHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c1-17-10-2-3-11(13)12(6-10)16-8-9-7-14-4-5-15-9/h2-7,16H,8H2,1H3.
What are the key properties of 2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline?
2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline has a molecular weight of 249.70 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methoxy-N-(pyrazin-2-ylmethyl)aniline is sourced from PubChem (CID 62762564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).