N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine

C16H20BrN3 — CID 105089075

IUPACN-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1)c1cnc(C)cn1
InChIInChI=1S/C16H20BrN3/c1-3-8-18-15(16-11-19-12(2)10-20-16)9-13-4-6-14(17)7-5-13/h4-7,10-11,15,18H,3,8-9H2,1-2H3
InChIKeyLHVAQIIYZYDJPD-UHFFFAOYSA-N
MW334.26 g/mol
LogP3.83
Rot. Bonds6

About N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine

N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine (PubChem CID 105089075) has the molecular formula C16H20BrN3 and a molecular weight of 334.26 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
PubChem CID105089075
Molecular FormulaC16H20BrN3
Molecular Weight334.26 g/mol
Exact Mass333.08
IUPAC NameN-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1ccc(Br)cc1)c1cnc(C)cn1
InChIInChI=1S/C16H20BrN3/c1-3-8-18-15(16-11-19-12(2)10-20-16)9-13-4-6-14(17)7-5-13/h4-7,10-11,15,18H,3,8-9H2,1-2H3
InChIKeyLHVAQIIYZYDJPD-UHFFFAOYSA-N
XLogP3.83
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.26
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 105088934
N-[2-(2,4-difluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105117344
4,4,4-trifluoro-1-(5-methylpyrazin-2-yl)-N-propylbutan-1-amine
CID 105156337
5-methyl-1-(5-methylpyrazin-2-yl)-N-propylhexan-1-amine
CID 105177042
N-[2-(2-chloro-3-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105178875
N-[2-(2-chloro-6-fluorophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 105105691
1-(5-methylpyrazin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 105113048
N-[2-(4-bromophenyl)-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 63977288
1,3-bis(4-bromophenyl)-N-propylpropan-2-amine
CID 60818661
N-[1-(2-bromophenyl)-2-(4-bromophenyl)ethyl]propan-1-amine
CID 63415176
2-(4-bromophenyl)-N-ethyl-1-(5-fluoro-2-pyridinyl)ethanamine
CID 79723771
N-[2-(4-bromophenyl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 63528602

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine (CID 105089075) is N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine is CCCNC(Cc1ccc(Br)cc1)c1cnc(C)cn1.
What is the InChIKey of N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine?
The InChIKey is LHVAQIIYZYDJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3/c1-3-8-18-15(16-11-19-12(2)10-20-16)9-13-4-6-14(17)7-5-13/h4-7,10-11,15,18H,3,8-9H2,1-2H3.
What are the key properties of N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine?
N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine has a molecular weight of 334.26 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-1-(5-methylpyrazin-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105089075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).