N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine

C17H23N3 — CID 105140593

IUPACN-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnc(C)cn1)c1cccc(C)c1C
InChIInChI=1S/C17H23N3/c1-5-9-18-17(16-11-19-13(3)10-20-16)15-8-6-7-12(2)14(15)4/h6-8,10-11,17-18H,5,9H2,1-4H3
InChIKeyJSFPHESAZPHRID-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.49
Rot. Bonds5

About N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine

N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine (PubChem CID 105140593) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
PubChem CID105140593
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnc(C)cn1)c1cccc(C)c1C
InChIInChI=1S/C17H23N3/c1-5-9-18-17(16-11-19-13(3)10-20-16)15-8-6-7-12(2)14(15)4/h6-8,10-11,17-18H,5,9H2,1-4H3
InChIKeyJSFPHESAZPHRID-UHFFFAOYSA-N
XLogP3.49
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,3-dimethylphenyl)-pyridin-2-ylmethyl]propan-1-amine
CID 62548702
N-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105140288
N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105171117
N-[(3-chloro-2-methylphenyl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 107102258
N-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 107130264
N-[(2,3-dimethylphenyl)-(2-methoxy-3-pyridinyl)methyl]propan-1-amine
CID 105140730
N-[(2,3-dimethylphenyl)-(6-methyl-2-pyridinyl)methyl]ethanamine
CID 63554015
N-[(3-chloro-2-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 107102363
N-[(2,3-dimethylphenyl)-(6-methyl-3-pyridinyl)methyl]ethanamine
CID 115854598
N-[(5-methylpyrazin-2-yl)-quinolin-5-ylmethyl]ethanamine
CID 105172000
N-[(3-bromo-5-methylthiophen-2-yl)-(2,3-dimethylphenyl)methyl]propan-1-amine
CID 65278365
N-[1-(2,3-dimethylphenyl)-2-(5-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 66459041

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine (CID 105140593) is N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine is CCCNC(c1cnc(C)cn1)c1cccc(C)c1C.
What is the InChIKey of N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is JSFPHESAZPHRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-5-9-18-17(16-11-19-13(3)10-20-16)15-8-6-7-12(2)14(15)4/h6-8,10-11,17-18H,5,9H2,1-4H3.
What are the key properties of N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105140593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).