N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine

C16H21N3 — CID 105097208

IUPACN-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)c1cnc(C)cn1
InChIInChI=1S/C16H21N3/c1-5-17-16(15-10-18-13(4)9-19-15)14-7-11(2)6-12(3)8-14/h6-10,16-17H,5H2,1-4H3
InChIKeyFTDQPHCLHFJPOO-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.10
Rot. Bonds4

About N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine

N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine (PubChem CID 105097208) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
PubChem CID105097208
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC NameN-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
SMILESCCNC(c1cc(C)cc(C)c1)c1cnc(C)cn1
InChIInChI=1S/C16H21N3/c1-5-17-16(15-10-18-13(4)9-19-15)14-7-11(2)6-12(3)8-14/h6-10,16-17H,5H2,1-4H3
InChIKeyFTDQPHCLHFJPOO-UHFFFAOYSA-N
XLogP3.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethylphenyl)-(5-fluoro-2-pyridinyl)methyl]ethanamine
CID 79722905
N-[(2-fluoro-4,6-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 106883536
N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105093021
N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105144595
N-[(3,5-dimethylphenyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 105023254
N-[(2,5-dichlorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105142310
N-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105140288
N-[(4-methoxy-2-methylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105115764
2-(2,5-dimethylphenyl)-N-ethyl-1-(5-methylpyrazin-2-yl)ethanamine
CID 105101215
N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 107130264
N-[(5-methylpyrazin-2-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 105148936
N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105172000

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The IUPAC name of N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine (CID 105097208) is N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The canonical SMILES for N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine is CCNC(c1cc(C)cc(C)c1)c1cnc(C)cn1.
What is the InChIKey of N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
The InChIKey is FTDQPHCLHFJPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-5-17-16(15-10-18-13(4)9-19-15)14-7-11(2)6-12(3)8-14/h6-10,16-17H,5H2,1-4H3.
What are the key properties of N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine?
N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine is sourced from PubChem (CID 105097208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).