2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline

C14H18N2O2 — CID 28877385

IUPAC2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCOc1ccc(OC)c(NCc2cccn2C)c1
InChIInChI=1S/C14H18N2O2/c1-16-8-4-5-11(16)10-15-13-9-12(17-2)6-7-14(13)18-3/h4-9,15H,10H2,1-3H3
InChIKeyIGESHFZUIORHKY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.65
Rot. Bonds5

About 2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline

2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline (PubChem CID 28877385) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
PubChem CID28877385
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
SMILESCOc1ccc(OC)c(NCc2cccn2C)c1
InChIInChI=1S/C14H18N2O2/c1-16-8-4-5-11(16)10-15-13-9-12(17-2)6-7-14(13)18-3/h4-9,15H,10H2,1-3H3
InChIKeyIGESHFZUIORHKY-UHFFFAOYSA-N
XLogP2.65
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 55039471
1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 55191272
1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 62130800
5-chloro-2-ethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132956
N-[(2-bromophenyl)methyl]-2,5-dimethoxyaniline
CID 23767629
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,5-dimethoxyaniline
CID 66164456
N'-(2,5-dimethoxyphenyl)-N-phenylethane-1,2-diamine
CID 54806144
4-methoxy-N-[2-(1-methylpyrrol-2-yl)ethyl]aniline
CID 172562099
1-(2,5-dimethoxyanilino)-2-phenylpropan-2-ol
CID 62373660
4-[(2,5-dimethoxyanilino)methyl]-2,6-dimethylphenol
CID 28932279
2,5-dimethoxy-N-[(4-propan-2-ylphenyl)methyl]aniline
CID 28543653
2-(3,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 3141735

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline (CID 28877385) is 2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline is COc1ccc(OC)c(NCc2cccn2C)c1.
What is the InChIKey of 2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline?
The InChIKey is IGESHFZUIORHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-8-4-5-11(16)10-15-13-9-12(17-2)6-7-14(13)18-3/h4-9,15H,10H2,1-3H3.
What are the key properties of 2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline?
2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline has a molecular weight of 246.31 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[(1-methylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 28877385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).