N-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine

C17H23N3 — CID 105140288

IUPACN-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(C)c1)c1cnc(C)cn1
InChIInChI=1S/C17H23N3/c1-5-8-18-17(16-11-19-14(4)10-20-16)15-7-6-12(2)13(3)9-15/h6-7,9-11,17-18H,5,8H2,1-4H3
InChIKeyWJHZNNWXJVTJFM-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.49
Rot. Bonds5

About N-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine

N-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine (PubChem CID 105140288) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
PubChem CID105140288
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccc(C)c(C)c1)c1cnc(C)cn1
InChIInChI=1S/C17H23N3/c1-5-8-18-17(16-11-19-14(4)10-20-16)15-7-6-12(2)13(3)9-15/h6-7,9-11,17-18H,5,8H2,1-4H3
InChIKeyWJHZNNWXJVTJFM-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-[(3-fluoro-4-methylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 107130264
N-[(5-bromo-2-pyridinyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 115606122
N-[(3-ethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105171117
N-[(2,3-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105140593
N-[(3,4-dimethylphenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 43493978
(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine
CID 105140357
N-[(3-fluoro-4-methoxyphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105144595
N-[(3,4-dimethylphenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494021
N-[(3-bromo-4-methylphenyl)-pyrazin-2-ylmethyl]propan-1-amine
CID 115860589
N-[(3,5-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105097208
[(4-fluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 105302633
N-[(3-fluorophenyl)-(5-methylpyrazin-2-yl)methyl]ethanamine
CID 105093021

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine (CID 105140288) is N-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine is CCCNC(c1ccc(C)c(C)c1)c1cnc(C)cn1.
What is the InChIKey of N-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
The InChIKey is WJHZNNWXJVTJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-5-8-18-17(16-11-19-14(4)10-20-16)15-7-6-12(2)13(3)9-15/h6-7,9-11,17-18H,5,8H2,1-4H3.
What are the key properties of N-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine?
N-[(3,4-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-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 105140288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).