2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline

C18H26N2O — CID 79612321

IUPAC2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline
SMILESCCOc1cc(C)ccc1NCc1cc(C)n(CC)c1C
InChIInChI=1S/C18H26N2O/c1-6-20-14(4)11-16(15(20)5)12-19-17-9-8-13(3)10-18(17)21-7-2/h8-11,19H,6-7,12H2,1-5H3
InChIKeyKSJDZVPYERSWKZ-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.44
Rot. Bonds6

About 2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline

2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline (PubChem CID 79612321) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline.

Molecular Properties

Compound Name2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline
PubChem CID79612321
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline
SMILESCCOc1cc(C)ccc1NCc1cc(C)n(CC)c1C
InChIInChI=1S/C18H26N2O/c1-6-20-14(4)11-16(15(20)5)12-19-17-9-8-13(3)10-18(17)21-7-2/h8-11,19H,6-7,12H2,1-5H3
InChIKeyKSJDZVPYERSWKZ-UHFFFAOYSA-N
XLogP4.44
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline?
The IUPAC name of 2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline (CID 79612321) is 2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline.
What is the SMILES notation for 2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline?
The canonical SMILES for 2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline is CCOc1cc(C)ccc1NCc1cc(C)n(CC)c1C.
What is the InChIKey of 2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline?
The InChIKey is KSJDZVPYERSWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-6-20-14(4)11-16(15(20)5)12-19-17-9-8-13(3)10-18(17)21-7-2/h8-11,19H,6-7,12H2,1-5H3.
What are the key properties of 2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline?
2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline has a molecular weight of 286.42 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-methylaniline is sourced from PubChem (CID 79612321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).