1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine

C17H24N2O2 — CID 66399471

IUPAC1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
SMILESCCn1ccc(CNC(C)c2ccc(OC)cc2OC)c1
InChIInChI=1S/C17H24N2O2/c1-5-19-9-8-14(12-19)11-18-13(2)16-7-6-15(20-3)10-17(16)21-4/h6-10,12-13,18H,5,11H2,1-4H3
InChIKeyYDOZJGXEIFOVCI-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.38
Rot. Bonds7

About 1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine

1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine (PubChem CID 66399471) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
PubChem CID66399471
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
SMILESCCn1ccc(CNC(C)c2ccc(OC)cc2OC)c1
InChIInChI=1S/C17H24N2O2/c1-5-19-9-8-14(12-19)11-18-13(2)16-7-6-15(20-3)10-17(16)21-4/h6-10,12-13,18H,5,11H2,1-4H3
InChIKeyYDOZJGXEIFOVCI-UHFFFAOYSA-N
XLogP3.38
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrol-3-yl)methyl]-1-(2-methoxy-5-methylphenyl)ethanamine
CID 66400523
1-(2,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]ethanamine
CID 43194863
1-(2,4-dimethoxyphenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
CID 62130800
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylprop-2-en-1-amine
CID 102551497
1-(2,4-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43674286
N-[1-(2,4-dimethoxyphenyl)ethyl]but-2-yn-1-amine
CID 115896882
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579
1-(5-fluoro-2-methoxyphenyl)-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66415533
3-[1-(2,4-dimethoxyphenyl)ethylamino]propanenitrile
CID 43207694
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-methylpentan-1-amine
CID 43674264
1-(2,4-dimethoxyphenyl)-N-(1H-pyrrol-2-ylmethyl)ethanamine
CID 62328738
1-(2,4-dimethoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]ethanamine
CID 103913154

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine (CID 66399471) is 1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine is CCn1ccc(CNC(C)c2ccc(OC)cc2OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine?
The InChIKey is YDOZJGXEIFOVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-5-19-9-8-14(12-19)11-18-13(2)16-7-6-15(20-3)10-17(16)21-4/h6-10,12-13,18H,5,11H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine?
1-(2,4-dimethoxyphenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine has a molecular weight of 288.39 g/mol, XLogP of 3.38, 7 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-ethylpyrrol-3-yl)methyl]ethanamine is sourced from PubChem (CID 66399471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).