1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine

C15H20N2O2 — CID 55191272

IUPAC1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2cccn2C)c(OC)c1
InChIInChI=1S/C15H20N2O2/c1-17-8-4-5-13(17)11-16-10-12-6-7-14(18-2)9-15(12)19-3/h4-9,16H,10-11H2,1-3H3
InChIKeyRBVOWZWSUUIPEP-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.33
Rot. Bonds6

About 1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine

1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine (PubChem CID 55191272) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
PubChem CID55191272
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
SMILESCOc1ccc(CNCc2cccn2C)c(OC)c1
InChIInChI=1S/C15H20N2O2/c1-17-8-4-5-13(17)11-16-10-12-6-7-14(18-2)9-15(12)19-3/h4-9,16H,10-11H2,1-3H3
InChIKeyRBVOWZWSUUIPEP-UHFFFAOYSA-N
XLogP2.33
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 62130800
N-[(2,4-dimethoxyphenyl)methyl]-1-(3-methoxyphenyl)methanamine
CID 738572
1-(2,4-dimethoxyphenyl)-N-[(2-methylphenyl)methyl]methanamine
CID 39370180
N-[(2,6-dichlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 60961220
1-(2,4-dimethoxyphenyl)-N-[(2,6-dimethylphenyl)methyl]methanamine
CID 81318862
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine
CID 4719073
N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070547
1-(2,4-dimethoxyphenyl)-N-[(3,5-dimethoxyphenyl)methyl]methanamine;hydrochloride
CID 47020695
N-[(2-chlorophenyl)methyl]-1-(2,4-dimethoxyphenyl)methanamine;hydrochloride
CID 17293463
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
1-(2,4-dimethoxyphenyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]methanamine
CID 19623111

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine (CID 55191272) is 1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine is COc1ccc(CNCc2cccn2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
The InChIKey is RBVOWZWSUUIPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-17-8-4-5-13(17)11-16-10-12-6-7-14(18-2)9-15(12)19-3/h4-9,16H,10-11H2,1-3H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine?
1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine is sourced from PubChem (CID 55191272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).