N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine

C15H19N3O — CID 103777713

IUPACN-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine
SMILESCOc1cccc(CCNC(C)c2cnccn2)c1
InChIInChI=1S/C15H19N3O/c1-12(15-11-16-8-9-18-15)17-7-6-13-4-3-5-14(10-13)19-2/h3-5,8-12,17H,6-7H2,1-2H3
InChIKeyPVEOTHRQENOCNO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.38
Rot. Bonds6

About N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine

N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine (PubChem CID 103777713) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine.

Molecular Properties

Compound NameN-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine
PubChem CID103777713
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine
SMILESCOc1cccc(CCNC(C)c2cnccn2)c1
InChIInChI=1S/C15H19N3O/c1-12(15-11-16-8-9-18-15)17-7-6-13-4-3-5-14(10-13)19-2/h3-5,8-12,17H,6-7H2,1-2H3
InChIKeyPVEOTHRQENOCNO-UHFFFAOYSA-N
XLogP2.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromophenyl)-N-[(1S)-1-pyrazin-2-ylethyl]propan-1-amine
CID 97066688
N-[2-(3-methoxyphenyl)ethyl]-1-(5-methylfuran-2-yl)ethanamine
CID 103777751
N-[2-(3-methoxyphenyl)ethyl]-3,3-dimethylbutan-2-amine
CID 126843908
1,1-dimethoxy-N-[2-(3-methoxyphenyl)ethyl]propan-2-amine
CID 107850250
5-methoxy-2-methyl-N-(1-pyrazin-2-ylethyl)aniline
CID 113354050
N-[2-(3-methoxyphenyl)ethyl]-1-(3-methylthiophen-2-yl)ethanamine
CID 103777714
N-[2-(3-methoxyphenyl)ethyl]heptan-4-amine
CID 103729443
2-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 107852157
1-(1,3-dimethylpyrazol-4-yl)-N-[2-(3-methoxyphenyl)ethyl]ethanamine
CID 103777717
5-methoxy-N-[2-(3-methoxyphenyl)ethyl]pyridin-2-amine
CID 104861065
1-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 43193663
(1R)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-1-pyrazin-2-ylethanamine
CID 97321809

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine?
The IUPAC name of N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine (CID 103777713) is N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine.
What is the SMILES notation for N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine?
The canonical SMILES for N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine is COc1cccc(CCNC(C)c2cnccn2)c1.
What is the InChIKey of N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine?
The InChIKey is PVEOTHRQENOCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(15-11-16-8-9-18-15)17-7-6-13-4-3-5-14(10-13)19-2/h3-5,8-12,17H,6-7H2,1-2H3.
What are the key properties of N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine?
N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenyl)ethyl]-1-pyrazin-2-ylethanamine is sourced from PubChem (CID 103777713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).