3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline

C15H17BrClN3O — CID 102613332

IUPAC3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
SMILESCCOc1c(Br)cc(Cl)cc1NC(C)c1nccnc1C
InChIInChI=1S/C15H17BrClN3O/c1-4-21-15-12(16)7-11(17)8-13(15)20-10(3)14-9(2)18-5-6-19-14/h5-8,10,20H,4H2,1-3H3
InChIKeyLSWRUBMJRWECSD-UHFFFAOYSA-N
MW370.68 g/mol
LogP4.77
Rot. Bonds5

About 3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline

3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline (PubChem CID 102613332) has the molecular formula C15H17BrClN3O and a molecular weight of 370.68 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
PubChem CID102613332
Molecular FormulaC15H17BrClN3O
Molecular Weight370.68 g/mol
Exact Mass369.02
IUPAC Name3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
SMILESCCOc1c(Br)cc(Cl)cc1NC(C)c1nccnc1C
InChIInChI=1S/C15H17BrClN3O/c1-4-21-15-12(16)7-11(17)8-13(15)20-10(3)14-9(2)18-5-6-19-14/h5-8,10,20H,4H2,1-3H3
InChIKeyLSWRUBMJRWECSD-UHFFFAOYSA-N
XLogP4.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.68
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
The IUPAC name of 3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline (CID 102613332) is 3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline.
What is the SMILES notation for 3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
The canonical SMILES for 3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline is CCOc1c(Br)cc(Cl)cc1NC(C)c1nccnc1C.
What is the InChIKey of 3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
The InChIKey is LSWRUBMJRWECSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3O/c1-4-21-15-12(16)7-11(17)8-13(15)20-10(3)14-9(2)18-5-6-19-14/h5-8,10,20H,4H2,1-3H3.
What are the key properties of 3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline has a molecular weight of 370.68 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline is sourced from PubChem (CID 102613332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).