N-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine

C16H21N3O — CID 105115764

IUPACN-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1cnc(C)cn1)c1ccc(OC)cc1C
InChIInChI=1S/C16H21N3O/c1-5-17-16(15-10-18-12(3)9-19-15)14-7-6-13(20-4)8-11(14)2/h6-10,16-17H,5H2,1-4H3
InChIKeyCEDKKGUSHIZJCV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.80
Rot. Bonds5

About N-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine

N-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine (PubChem CID 105115764) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
PubChem CID105115764
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1cnc(C)cn1)c1ccc(OC)cc1C
InChIInChI=1S/C16H21N3O/c1-5-17-16(15-10-18-12(3)9-19-15)14-7-6-13(20-4)8-11(14)2/h6-10,16-17H,5H2,1-4H3
InChIKeyCEDKKGUSHIZJCV-UHFFFAOYSA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 103397795
N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105142310
N-[(4-methoxy-2-methylphenyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 105115211
N-[(2-fluoro-5-methylphenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 62514109
N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105144595
N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105097208
N-[(5-bromo-2-pyridinyl)-(2,4-dimethylphenyl)methyl]ethanamine
CID 115606105
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 43490085
1-(4-methoxyphenyl)-N-methyl-1-(5-methylpyrazin-2-yl)methanamine
CID 105095151
1-(4-methoxy-2-methylphenyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
CID 105115184
N-[(3-bromo-5-chlorophenyl)-(4-methoxy-2-methylphenyl)methyl]ethanamine
CID 107945309
N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105172000

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine (CID 105115764) is N-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine is CCNC(c1cnc(C)cn1)c1ccc(OC)cc1C.
What is the InChIKey of N-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The InChIKey is CEDKKGUSHIZJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-5-17-16(15-10-18-12(3)9-19-15)14-7-6-13(20-4)8-11(14)2/h6-10,16-17H,5H2,1-4H3.
What are the key properties of N-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
N-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine has a molecular weight of 271.36 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 105115764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).