N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine

C14H16BrN3O — CID 115860499

IUPACN-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1ccc(Br)cc1OC
InChIInChI=1S/C14H16BrN3O/c1-3-17-14(12-9-16-6-7-18-12)11-5-4-10(15)8-13(11)19-2/h4-9,14,17H,3H2,1-2H3
InChIKeyDNGAIBVEEGXJOM-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.95
Rot. Bonds5

About N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine

N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine (PubChem CID 115860499) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
PubChem CID115860499
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
SMILESCCNC(c1cnccn1)c1ccc(Br)cc1OC
InChIInChI=1S/C14H16BrN3O/c1-3-17-14(12-9-16-6-7-18-12)11-5-4-10(15)8-13(11)19-2/h4-9,14,17H,3H2,1-2H3
InChIKeyDNGAIBVEEGXJOM-UHFFFAOYSA-N
XLogP2.95
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-bromo-2,4-dimethoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 103523310
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 115860283
N-[(5-chloro-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine
CID 62789336
N-[(2-bromo-4-chlorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 107993288
N-[(4-bromo-2-chlorophenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860282
N-[(2,6-dimethyl-3-pyridinyl)-pyrazin-2-ylmethyl]ethanamine
CID 105150000
N-[(4-bromo-2-methoxyphenyl)-(1-ethylpyrazol-4-yl)methyl]ethanamine
CID 115816130
N-[(4-bromo-2-methoxyphenyl)-(4-chlorophenyl)methyl]ethanamine
CID 115368913
N-[(4-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 115828081
1-(2,4-dimethoxyphenyl)-N-methyl-1-pyrazin-2-ylmethanamine
CID 62801136
N-[(3-bromo-2-fluorophenyl)-pyrazin-2-ylmethyl]ethanamine
CID 106645388
1-(4-bromo-2-methoxyphenyl)-N-ethyl-2-pyridin-4-ylethanamine
CID 115369494

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine?
The IUPAC name of N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine (CID 115860499) is N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine is CCNC(c1cnccn1)c1ccc(Br)cc1OC.
What is the InChIKey of N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine?
The InChIKey is DNGAIBVEEGXJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-3-17-14(12-9-16-6-7-18-12)11-5-4-10(15)8-13(11)19-2/h4-9,14,17H,3H2,1-2H3.
What are the key properties of N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine?
N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine has a molecular weight of 322.21 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-methoxyphenyl)-pyrazin-2-ylmethyl]ethanamine is sourced from PubChem (CID 115860499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).