(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine

C14H17N3 — CID 105140357

IUPAC(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine
SMILESCc1cnc(C(N)c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C14H17N3/c1-9-4-5-12(6-10(9)2)14(15)13-8-16-11(3)7-17-13/h4-8,14H,15H2,1-3H3
InChIKeyWAOWYWSWDXLJFA-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.45
Rot. Bonds2

About (3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine

(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine (PubChem CID 105140357) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine.

Molecular Properties

Compound Name(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine
PubChem CID105140357
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine
SMILESCc1cnc(C(N)c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C14H17N3/c1-9-4-5-12(6-10(9)2)14(15)13-8-16-11(3)7-17-13/h4-8,14H,15H2,1-3H3
InChIKeyWAOWYWSWDXLJFA-UHFFFAOYSA-N
XLogP2.45
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylphenyl)-(4-methyl-2-pyridinyl)methanamine
CID 55256587
(5-methylpyrazin-2-yl)-quinolin-7-ylmethanamine
CID 105172668
(3,4-dimethylphenyl)-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 105140396
N-[(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methyl]propan-1-amine
CID 105140288
(4-fluoro-2-methylphenyl)-(5-methylpyrazin-2-yl)methanamine
CID 105142831
(2-methoxy-5-methylphenyl)-(5-methylpyrazin-2-yl)methanamine
CID 105144106
[(4-fluoro-3-methylphenyl)-(5-methylpyrazin-2-yl)methyl]hydrazine
CID 105302633
(3,4-dimethylphenyl)-(3,5-dimethylphenyl)methanamine
CID 43149143
(2,5-dimethoxyphenyl)-(5-methylpyrazin-2-yl)methanamine
CID 105145782
(3-chloro-4-methylphenyl)-pyrazin-2-ylmethanamine
CID 115860386
(3-fluoro-4-methylphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156098
(1R)-1-(3,4-dimethylphenyl)ethanamine
CID 7022091

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine?
The IUPAC name of (3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine (CID 105140357) is (3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine.
What is the SMILES notation for (3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine?
The canonical SMILES for (3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine is Cc1cnc(C(N)c2ccc(C)c(C)c2)cn1.
What is the InChIKey of (3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine?
The InChIKey is WAOWYWSWDXLJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-9-4-5-12(6-10(9)2)14(15)13-8-16-11(3)7-17-13/h4-8,14H,15H2,1-3H3.
What are the key properties of (3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine?
(3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylphenyl)-(5-methylpyrazin-2-yl)methanamine is sourced from PubChem (CID 105140357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).