1-(3-methoxyphenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine

C15H20N2O — CID 134795725

IUPAC1-(3-methoxyphenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine
SMILESCOc1cccc(CN(C)Cc2cccn2C)c1
InChIInChI=1S/C15H20N2O/c1-16(12-14-7-5-9-17(14)2)11-13-6-4-8-15(10-13)18-3/h4-10H,11-12H2,1-3H3
InChIKeyJQMVUCUTLGLZGU-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.67
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine

1-(3-methoxyphenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine (PubChem CID 134795725) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine
PubChem CID134795725
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-(3-methoxyphenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine
SMILESCOc1cccc(CN(C)Cc2cccn2C)c1
InChIInChI=1S/C15H20N2O/c1-16(12-14-7-5-9-17(14)2)11-13-6-4-8-15(10-13)18-3/h4-10H,11-12H2,1-3H3
InChIKeyJQMVUCUTLGLZGU-UHFFFAOYSA-N
XLogP2.67
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The IUPAC name of 1-(3-methoxyphenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine (CID 134795725) is 1-(3-methoxyphenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(3-methoxyphenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine is COc1cccc(CN(C)Cc2cccn2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The InChIKey is JQMVUCUTLGLZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-16(12-14-7-5-9-17(14)2)11-13-6-4-8-15(10-13)18-3/h4-10H,11-12H2,1-3H3.
What are the key properties of 1-(3-methoxyphenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
1-(3-methoxyphenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine has a molecular weight of 244.34 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-methyl-N-[(1-methylpyrrol-2-yl)methyl]methanamine is sourced from PubChem (CID 134795725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).