(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine

C14H17N3O2 — CID 105031995

IUPAC(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine
SMILESCOc1cc(C(N)c2nccnc2OC)ccc1C
InChIInChI=1S/C14H17N3O2/c1-9-4-5-10(8-11(9)18-2)12(15)13-14(19-3)17-7-6-16-13/h4-8,12H,15H2,1-3H3
InChIKeySPFANNAWBFVJRD-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.85
Rot. Bonds4

About (3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine

(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine (PubChem CID 105031995) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is (3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine.

Molecular Properties

Compound Name(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine
PubChem CID105031995
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine
SMILESCOc1cc(C(N)c2nccnc2OC)ccc1C
InChIInChI=1S/C14H17N3O2/c1-9-4-5-10(8-11(9)18-2)12(15)13-14(19-3)17-7-6-16-13/h4-8,12H,15H2,1-3H3
InChIKeySPFANNAWBFVJRD-UHFFFAOYSA-N
XLogP1.85
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methyl]ethanamine
CID 105031993
(3-chloro-4-fluorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 104515565
(3-bromo-4-chlorophenyl)-(3-methoxypyrazin-2-yl)methanamine
CID 113421651
(3-methoxy-4-methylphenyl)-pyrimidin-5-ylmethanamine
CID 115827248
(1S)-1-(3-methoxy-4-methylphenyl)-2,2-dimethylpropan-1-amine
CID 131536439
(1S,2S)-1-(3-methoxy-4-methylphenyl)propane-1,2-diamine
CID 130934760
1-(3,4-dimethylphenyl)-1-(3-methoxypyrazin-2-yl)-N-methylmethanamine
CID 105031923
(3-bromo-4-methylphenyl)-(3-methoxy-2-pyridinyl)methanamine
CID 114054024
(4-methoxy-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 83044207
(4-fluoro-3,5-dimethylphenyl)-(3-methoxy-4-methylphenyl)methanamine
CID 65298951
(3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methanol
CID 104514494
[(3,4-dimethoxyphenyl)-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105192205

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine?
The IUPAC name of (3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine (CID 105031995) is (3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine.
What is the SMILES notation for (3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine?
The canonical SMILES for (3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine is COc1cc(C(N)c2nccnc2OC)ccc1C.
What is the InChIKey of (3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine?
The InChIKey is SPFANNAWBFVJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9-4-5-10(8-11(9)18-2)12(15)13-14(19-3)17-7-6-16-13/h4-8,12H,15H2,1-3H3.
What are the key properties of (3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine?
(3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine has a molecular weight of 259.31 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-4-methylphenyl)-(3-methoxypyrazin-2-yl)methanamine is sourced from PubChem (CID 105031995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).