4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline

C17H24N2O2 — CID 66410561

IUPAC4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
SMILESCCCn1cccc1CNc1ccc(OCC)c(OC)c1
InChIInChI=1S/C17H24N2O2/c1-4-10-19-11-6-7-15(19)13-18-14-8-9-16(21-5-2)17(12-14)20-3/h6-9,11-12,18H,4-5,10,13H2,1-3H3
InChIKeyIETBQFNXJTXDIV-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.92
Rot. Bonds8

About 4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline

4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline (PubChem CID 66410561) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
PubChem CID66410561
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
SMILESCCCn1cccc1CNc1ccc(OCC)c(OC)c1
InChIInChI=1S/C17H24N2O2/c1-4-10-19-11-6-7-15(19)13-18-14-8-9-16(21-5-2)17(12-14)20-3/h6-9,11-12,18H,4-5,10,13H2,1-3H3
InChIKeyIETBQFNXJTXDIV-UHFFFAOYSA-N
XLogP3.92
TPSA35.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-methoxy-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411382
2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411864
[2-ethoxy-5-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanol
CID 66412545
3-(methoxymethyl)-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411319
methyl 3-[(1-propylpyrrol-2-yl)methylamino]benzoate
CID 66411900
3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66416311
3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 62358267
4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66412138
3-ethynyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66410687
2-[4-[(1-propylpyrrol-2-yl)methylamino]phenoxy]acetonitrile
CID 66410713
4-ethoxy-3-methoxy-N-pentylaniline
CID 43229052
3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 43729883

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The IUPAC name of 4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline (CID 66410561) is 4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline.
What is the SMILES notation for 4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The canonical SMILES for 4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline is CCCn1cccc1CNc1ccc(OCC)c(OC)c1.
What is the InChIKey of 4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline?
The InChIKey is IETBQFNXJTXDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-10-19-11-6-7-15(19)13-18-14-8-9-16(21-5-2)17(12-14)20-3/h6-9,11-12,18H,4-5,10,13H2,1-3H3.
What are the key properties of 4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline?
4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline has a molecular weight of 288.39 g/mol, XLogP of 3.92, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline is sourced from PubChem (CID 66410561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).