[1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine

C15H20N2O2 — CID 66523707

IUPAC[1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine
SMILESCOc1ccc(OC)c(-n2c(C)cc(CN)c2C)c1
InChIInChI=1S/C15H20N2O2/c1-10-7-12(9-16)11(2)17(10)14-8-13(18-3)5-6-15(14)19-4/h5-8H,9,16H2,1-4H3
InChIKeyBCRUJFGZRKUBRP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.57
Rot. Bonds4

About [1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine

[1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine (PubChem CID 66523707) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is [1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine
PubChem CID66523707
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name[1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine
SMILESCOc1ccc(OC)c(-n2c(C)cc(CN)c2C)c1
InChIInChI=1S/C15H20N2O2/c1-10-7-12(9-16)11(2)17(10)14-8-13(18-3)5-6-15(14)19-4/h5-8H,9,16H2,1-4H3
InChIKeyBCRUJFGZRKUBRP-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine
CID 45496721
2-[1-(2,4-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine
CID 39373267
2-[1-(5-chloro-2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]ethanamine
CID 39379121
[2,5-dimethyl-1-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]methanamine
CID 45496728
[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760277
[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanol
CID 39247985
[1-(2-bromophenyl)-2,5-dimethylpyrrol-3-yl]methanamine
CID 20983267
3-(3-bromo-2,5-dimethylpyrrol-1-yl)-4-methoxyaniline
CID 82514607
[1-(2,5-dimethoxyphenyl)imidazol-4-yl]methanamine
CID 82475495
1-[1-(2-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-methylmethanamine
CID 50850667
1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine
CID 82466679
[1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 82198669

Frequently Asked Questions

What is the IUPAC name of [1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine?
The IUPAC name of [1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine (CID 66523707) is [1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine.
What is the SMILES notation for [1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine?
The canonical SMILES for [1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine is COc1ccc(OC)c(-n2c(C)cc(CN)c2C)c1.
What is the InChIKey of [1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine?
The InChIKey is BCRUJFGZRKUBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10-7-12(9-16)11(2)17(10)14-8-13(18-3)5-6-15(14)19-4/h5-8H,9,16H2,1-4H3.
What are the key properties of [1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine?
[1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine is sourced from PubChem (CID 66523707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).