1-(2-methoxy-5-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

C16H22N2O — CID 56828362

IUPAC1-(2-methoxy-5-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESCOc1ccc(C)cc1C(C)NCc1cccn1C
InChIInChI=1S/C16H22N2O/c1-12-7-8-16(19-4)15(10-12)13(2)17-11-14-6-5-9-18(14)3/h5-10,13,17H,11H2,1-4H3
InChIKeyFZQLHDPONUDIQE-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.19
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

1-(2-methoxy-5-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (PubChem CID 56828362) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
PubChem CID56828362
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name1-(2-methoxy-5-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESCOc1ccc(C)cc1C(C)NCc1cccn1C
InChIInChI=1S/C16H22N2O/c1-12-7-8-16(19-4)15(10-12)13(2)17-11-14-6-5-9-18(14)3/h5-10,13,17H,11H2,1-4H3
InChIKeyFZQLHDPONUDIQE-UHFFFAOYSA-N
XLogP3.19
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (CID 56828362) is 1-(2-methoxy-5-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is COc1ccc(C)cc1C(C)NCc1cccn1C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is FZQLHDPONUDIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-7-8-16(19-4)15(10-12)13(2)17-11-14-6-5-9-18(14)3/h5-10,13,17H,11H2,1-4H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
1-(2-methoxy-5-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 258.37 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 56828362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).