6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine

C14H16ClN3O — CID 47370476

IUPAC6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine
SMILESCCOc1ccc(C(C)Nc2cncc(Cl)n2)cc1
InChIInChI=1S/C14H16ClN3O/c1-3-19-12-6-4-11(5-7-12)10(2)17-14-9-16-8-13(15)18-14/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeySCPXBSUGIVZGMC-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.70
Rot. Bonds5

About 6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine

6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine (PubChem CID 47370476) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine
PubChem CID47370476
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine
SMILESCCOc1ccc(C(C)Nc2cncc(Cl)n2)cc1
InChIInChI=1S/C14H16ClN3O/c1-3-19-12-6-4-11(5-7-12)10(2)17-14-9-16-8-13(15)18-14/h4-10H,3H2,1-2H3,(H,17,18)
InChIKeySCPXBSUGIVZGMC-UHFFFAOYSA-N
XLogP3.70
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(4-bromophenyl)ethyl]-6-chloropyrazin-2-amine
CID 58934266
6-hydrazinyl-N-[1-(4-methoxyphenyl)ethyl]pyrazin-2-amine
CID 80921639
N-[1-(4-ethoxyphenyl)ethyl]-6-fluoropyridin-2-amine
CID 115591068
N-[1-(4-ethoxyphenyl)ethyl]-4-methylpyridin-3-amine
CID 55203039
6-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]pyrazin-2-amine
CID 58869935
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethoxyphenyl)ethanamine
CID 81356975
6-chloro-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyrazin-2-amine
CID 133348279
2,6-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-fluoroaniline
CID 83078344
4-chloro-N-[1-(4-ethoxyphenyl)ethyl]-3-fluoroaniline
CID 43721449
2,5-dichloro-N-[1-(4-ethoxyphenyl)ethyl]-4-methylaniline
CID 104726016
6-chloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]pyrazin-2-amine
CID 133305089
N-[1-(4-ethoxyphenyl)ethyl]-4-ethylaniline
CID 43093553

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine (CID 47370476) is 6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine is CCOc1ccc(C(C)Nc2cncc(Cl)n2)cc1.
What is the InChIKey of 6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine?
The InChIKey is SCPXBSUGIVZGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-3-19-12-6-4-11(5-7-12)10(2)17-14-9-16-8-13(15)18-14/h4-10H,3H2,1-2H3,(H,17,18).
What are the key properties of 6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine?
6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine has a molecular weight of 277.75 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(4-ethoxyphenyl)ethyl]pyrazin-2-amine is sourced from PubChem (CID 47370476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).