(1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine

C15H18BrN3 — CID 102613113

IUPAC(1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
SMILESCc1nccnc1C(C)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C15H18BrN3/c1-10(13-6-4-5-7-14(13)16)19-12(3)15-11(2)17-8-9-18-15/h4-10,12,19H,1-3H3/t10-,12?/m0/s1
InChIKeyPUOPDHWZYCQEKP-NUHJPDEHSA-N
MW320.23 g/mol
LogP3.96
Rot. Bonds4

About (1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine

(1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine (PubChem CID 102613113) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is (1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
PubChem CID102613113
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name(1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
SMILESCc1nccnc1C(C)N[C@@H](C)c1ccccc1Br
InChIInChI=1S/C15H18BrN3/c1-10(13-6-4-5-7-14(13)16)19-12(3)15-11(2)17-8-9-18-15/h4-10,12,19H,1-3H3/t10-,12?/m0/s1
InChIKeyPUOPDHWZYCQEKP-NUHJPDEHSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81382927
N-[(1R)-1-(2-bromophenyl)ethyl]-1-(2-methylphenyl)ethanamine
CID 81378592
(1S)-1-(2-bromophenyl)-N-[1-(2,4,5-trimethylphenyl)ethyl]ethanamine
CID 81379135
(1R)-N-[1-(2-bromophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 81379784
(1R)-N-[1-(3-methylpyrazin-2-yl)ethyl]-1-pyridin-3-ylethanamine
CID 102613225
1-(5-fluoro-2-methoxyphenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine
CID 102612474
N-[1-(2-bromophenyl)ethyl]-3-methylbutan-2-amine
CID 43131330
N-[1-(3-methylpyrazin-2-yl)ethyl]aniline
CID 102612936
N-[(1S)-1-(2-bromophenyl)ethyl]-1-(2-ethoxyphenyl)ethanamine
CID 81379133
1-(2-bromophenyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]ethanamine
CID 43751951
(1S)-1-(2-bromophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757965
1-(2-bromophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757140

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine (CID 102613113) is (1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine is Cc1nccnc1C(C)N[C@@H](C)c1ccccc1Br.
What is the InChIKey of (1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine?
The InChIKey is PUOPDHWZYCQEKP-NUHJPDEHSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10(13-6-4-5-7-14(13)16)19-12(3)15-11(2)17-8-9-18-15/h4-10,12,19H,1-3H3/t10-,12?/m0/s1.
What are the key properties of (1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine?
(1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine has a molecular weight of 320.23 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-bromophenyl)-N-[1-(3-methylpyrazin-2-yl)ethyl]ethanamine is sourced from PubChem (CID 102613113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).