1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine

C15H20N2O — CID 116828251

IUPAC1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(OC)c(C)c2)[nH]c1C
InChIInChI=1S/C15H20N2O/c1-10-7-12(5-6-15(10)18-4)14-8-13(9-16-3)11(2)17-14/h5-8,16-17H,9H2,1-4H3
InChIKeyATAMYZIQCZMCEH-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.03
Rot. Bonds4

About 1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine

1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine (PubChem CID 116828251) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine
PubChem CID116828251
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine
SMILESCNCc1cc(-c2ccc(OC)c(C)c2)[nH]c1C
InChIInChI=1S/C15H20N2O/c1-10-7-12(5-6-15(10)18-4)14-8-13(9-16-3)11(2)17-14/h5-8,16-17H,9H2,1-4H3
InChIKeyATAMYZIQCZMCEH-UHFFFAOYSA-N
XLogP3.03
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[2-methyl-5-(4-propan-2-ylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828241
N-methyl-1-[2-methyl-5-(2,4,5-trimethylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828293
3-(4-methoxy-3-methylphenyl)-5-(methylaminomethyl)-1H-pyridazin-6-one
CID 82446311
N-methyl-1-[2-methyl-5-(1H-pyrrol-3-yl)-1H-pyrrol-3-yl]methanamine
CID 116828291
1-[3-(4-methoxy-3-methylphenyl)phenyl]-N-methylmethanamine
CID 61034321
N-methyl-1-[2-methyl-5-(2,4,6-trimethylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828270
N-methyl-1-[2-methyl-5-(2,3,4-trimethylphenyl)-1H-pyrrol-3-yl]methanamine
CID 116828335
1-[2-(3,4-dimethylphenyl)-4,5-dimethoxyphenyl]-N-methylmethanamine
CID 61032532
methyl 5-(4-methoxy-3-methylphenyl)-3-methyl-1H-pyrrole-2-carboxylate
CID 135397515
methane;1-methoxy-4-(4-methoxy-3-methylphenyl)-2-methylbenzene
CID 161175155
N-methyl-1-[2-methyl-5-(3-methylthiophen-2-yl)-1H-pyrrol-3-yl]methanamine
CID 116828347
2-[5-(4-methoxy-3-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-2-amine
CID 116879058

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine (CID 116828251) is 1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine is CNCc1cc(-c2ccc(OC)c(C)c2)[nH]c1C.
What is the InChIKey of 1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine?
The InChIKey is ATAMYZIQCZMCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-10-7-12(5-6-15(10)18-4)14-8-13(9-16-3)11(2)17-14/h5-8,16-17H,9H2,1-4H3.
What are the key properties of 1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine?
1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine has a molecular weight of 244.34 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methoxy-3-methylphenyl)-2-methyl-1H-pyrrol-3-yl]-N-methylmethanamine is sourced from PubChem (CID 116828251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).