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

C14H15BrClN3O — CID 102613331

IUPAC3-bromo-5-chloro-2-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
SMILESCOc1c(Br)cc(Cl)cc1NC(C)c1nccnc1C
InChIInChI=1S/C14H15BrClN3O/c1-8-13(18-5-4-17-8)9(2)19-12-7-10(16)6-11(15)14(12)20-3/h4-7,9,19H,1-3H3
InChIKeyFJRDCMUYCMTRPA-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.38
Rot. Bonds4

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

3-bromo-5-chloro-2-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline (PubChem CID 102613331) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline.

Molecular Properties

Compound Name3-bromo-5-chloro-2-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
PubChem CID102613331
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC Name3-bromo-5-chloro-2-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
SMILESCOc1c(Br)cc(Cl)cc1NC(C)c1nccnc1C
InChIInChI=1S/C14H15BrClN3O/c1-8-13(18-5-4-17-8)9(2)19-12-7-10(16)6-11(15)14(12)20-3/h4-7,9,19H,1-3H3
InChIKeyFJRDCMUYCMTRPA-UHFFFAOYSA-N
XLogP4.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-5-chloro-2-ethoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613332
3-bromo-5-chloro-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methoxyaniline
CID 63752106
3-bromo-5-chloro-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methoxyaniline
CID 83117200
3-bromo-5-chloro-N-[1-(3,4-difluorophenyl)ethyl]-2-methoxyaniline
CID 43689304
3-bromo-5-chloro-2-methoxy-N-[1-(4-methylsulfanylphenyl)ethyl]aniline
CID 43689308
3-bromo-5-chloro-N-[1-(4-ethylphenyl)ethyl]-2-methoxyaniline
CID 43689329
3-bromo-4-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613235
6-bromo-N-[1-(3-methylpyrazin-2-yl)ethyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 102613385
1-(3-bromo-5-chloro-2-methoxyphenyl)-N-methylethanamine
CID 43480286
3-bromo-5-chloro-N-(2,2-dimethoxyethyl)-2-methoxyaniline
CID 55233671
3-bromo-5-chloro-2-methoxy-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43782325
4-fluoro-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102613284

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-2-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
The IUPAC name of 3-bromo-5-chloro-2-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline (CID 102613331) is 3-bromo-5-chloro-2-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline.
What is the SMILES notation for 3-bromo-5-chloro-2-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
The canonical SMILES for 3-bromo-5-chloro-2-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline is COc1c(Br)cc(Cl)cc1NC(C)c1nccnc1C.
What is the InChIKey of 3-bromo-5-chloro-2-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
The InChIKey is FJRDCMUYCMTRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-8-13(18-5-4-17-8)9(2)19-12-7-10(16)6-11(15)14(12)20-3/h4-7,9,19H,1-3H3.
What are the key properties of 3-bromo-5-chloro-2-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline?
3-bromo-5-chloro-2-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline has a molecular weight of 356.65 g/mol, XLogP of 4.38, 4 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-methoxy-N-[1-(3-methylpyrazin-2-yl)ethyl]aniline is sourced from PubChem (CID 102613331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).