1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine

C18H25N3O — CID 77083522

IUPAC1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
SMILESCOc1cc(C)c(CN(C)Cc2cnccn2)cc1C(C)C
InChIInChI=1S/C18H25N3O/c1-13(2)17-9-15(14(3)8-18(17)22-5)11-21(4)12-16-10-19-6-7-20-16/h6-10,13H,11-12H2,1-5H3
InChIKeyKUYUQAFAHIQFBT-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.55
Rot. Bonds6

About 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine

1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine (PubChem CID 77083522) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
PubChem CID77083522
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
SMILESCOc1cc(C)c(CN(C)Cc2cnccn2)cc1C(C)C
InChIInChI=1S/C18H25N3O/c1-13(2)17-9-15(14(3)8-18(17)22-5)11-21(4)12-16-10-19-6-7-20-16/h6-10,13H,11-12H2,1-5H3
InChIKeyKUYUQAFAHIQFBT-UHFFFAOYSA-N
XLogP3.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylmethanediamine
CID 115225872
N'-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-N'-methylethane-1,2-diamine
CID 98784421
N-methyl-1-(4-propan-2-ylphenyl)-N-(pyrazin-2-ylmethyl)methanamine
CID 74239331
1-[methyl(pyrazin-2-ylmethyl)amino]propan-2-ol
CID 62333203
N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 110792705
N-methyl-N-(pyrazin-2-ylmethyl)propan-2-amine
CID 70659288
3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylpropan-1-amine
CID 95452248
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methylamino]ethanethiol
CID 115223937
2-[2-chloro-6-methoxy-4-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]acetamide
CID 77097544
N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(pyrazin-2-ylmethyl)amino]acetamide
CID 135102058
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110781248
1-[3-[(3-fluorophenyl)methoxy]-4-methoxyphenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
CID 74237501

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine?
The IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine (CID 77083522) is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine?
The canonical SMILES for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine is COc1cc(C)c(CN(C)Cc2cnccn2)cc1C(C)C.
What is the InChIKey of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine?
The InChIKey is KUYUQAFAHIQFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-13(2)17-9-15(14(3)8-18(17)22-5)11-21(4)12-16-10-19-6-7-20-16/h6-10,13H,11-12H2,1-5H3.
What are the key properties of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine?
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine has a molecular weight of 299.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methyl-N-(pyrazin-2-ylmethyl)methanamine is sourced from PubChem (CID 77083522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).