N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine

C16H21N3O — CID 104515338

IUPACN-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1nccnc1OC
InChIInChI=1S/C16H21N3O/c1-4-12-6-8-13(9-7-12)14(17-5-2)15-16(20-3)19-11-10-18-15/h6-11,14,17H,4-5H2,1-3H3
InChIKeyBAAXWUJMQNOKFJ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.75
Rot. Bonds6

About N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine

N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine (PubChem CID 104515338) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
PubChem CID104515338
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1ccc(CC)cc1)c1nccnc1OC
InChIInChI=1S/C16H21N3O/c1-4-12-6-8-13(9-7-12)14(17-5-2)15-16(20-3)19-11-10-18-15/h6-11,14,17H,4-5H2,1-3H3
InChIKeyBAAXWUJMQNOKFJ-UHFFFAOYSA-N
XLogP2.75
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 105031993
N-[(4-methoxy-3-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104516007
N-[(3-methoxypyrazin-2-yl)-(3-methylphenyl)methyl]ethanamine
CID 104515368
N-[bis(4-ethylphenyl)methyl]ethanamine
CID 43491437
N-[(4-ethylphenyl)-(4-methoxyphenyl)methyl]ethanamine
CID 43489197
N-[(2,6-difluorophenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104515889
1-(4-ethoxyphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105032032
N-[(3,4-dimethylphenyl)-(3-methoxypyrazin-2-yl)methyl]propan-1-amine
CID 105032115
N-[(5-bromo-2-pyridinyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 104516092
N-[(2-methoxy-3-pyridinyl)-(4-propylphenyl)methyl]ethanamine
CID 115605108
N-[(3,5-dimethoxypyrazin-2-yl)-pyridin-4-ylmethyl]ethanamine
CID 105065997
N-ethyl-1-(3-methoxypyrazin-2-yl)-2-pyridin-4-ylethanamine
CID 104515498

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine (CID 104515338) is N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine is CCNC(c1ccc(CC)cc1)c1nccnc1OC.
What is the InChIKey of N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
The InChIKey is BAAXWUJMQNOKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-4-12-6-8-13(9-7-12)14(17-5-2)15-16(20-3)19-11-10-18-15/h6-11,14,17H,4-5H2,1-3H3.
What are the key properties of N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine?
N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 104515338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).