N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine

C15H18ClN3 — CID 102612241

IUPACN-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCc1nccnc1C(C)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3/c1-11(15-12(2)18-9-10-19-15)17-8-7-13-3-5-14(16)6-4-13/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeyAZNULYYPZDSPGP-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.33
Rot. Bonds5

About N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine

N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine (PubChem CID 102612241) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
PubChem CID102612241
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
SMILESCc1nccnc1C(C)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3/c1-11(15-12(2)18-9-10-19-15)17-8-7-13-3-5-14(16)6-4-13/h3-6,9-11,17H,7-8H2,1-2H3
InChIKeyAZNULYYPZDSPGP-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612221
3,3,3-trifluoro-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612905
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612667
N-[2-(4-chlorophenyl)ethyl]-1-(2-fluorophenyl)ethanamine
CID 43100538
1-[2-(4-chlorophenyl)ethylamino]-2-methylpropan-1-ol
CID 121016044
N-[2-(4-chlorophenyl)ethyl]-1-(4-methylsulfanylphenyl)ethanamine
CID 43103247
1-chloro-1-[2-(4-chlorophenyl)ethylamino]propan-2-ol
CID 141296655
N-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpyridine-4-carboxamide
CID 110853490
3-[1-[2-(4-chlorophenyl)ethylamino]ethyl]phenol
CID 43202444
N-(2-ethylsulfinylethyl)-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612714
N-(cyclobutylmethyl)-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612552
N-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine
CID 114279894

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine (CID 102612241) is N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine is Cc1nccnc1C(C)NCCc1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine?
The InChIKey is AZNULYYPZDSPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11(15-12(2)18-9-10-19-15)17-8-7-13-3-5-14(16)6-4-13/h3-6,9-11,17H,7-8H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine?
N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine has a molecular weight of 275.78 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine is sourced from PubChem (CID 102612241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).