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

C17H24N2O2 — CID 66416311

IUPAC3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
SMILESCCCn1ccc(CNc2ccc(OC)c(OCC)c2)c1
InChIInChI=1S/C17H24N2O2/c1-4-9-19-10-8-14(13-19)12-18-15-6-7-16(20-3)17(11-15)21-5-2/h6-8,10-11,13,18H,4-5,9,12H2,1-3H3
InChIKeyZQVOUXOMSNIWGI-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.92
Rot. Bonds8

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

3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline (PubChem CID 66416311) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline.

Molecular Properties

Compound Name3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
PubChem CID66416311
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
SMILESCCCn1ccc(CNc2ccc(OC)c(OCC)c2)c1
InChIInChI=1S/C17H24N2O2/c1-4-9-19-10-8-14(13-19)12-18-15-6-7-16(20-3)17(11-15)21-5-2/h6-8,10-11,13,18H,4-5,9,12H2,1-3H3
InChIKeyZQVOUXOMSNIWGI-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

3-chloro-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66397516
3-bromo-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66416185
3-chloro-4-propoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66414383
3-chloro-4-ethoxy-N-[(1-ethylpyrrol-3-yl)methyl]aniline
CID 66413799
3-ethoxy-4-methoxy-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66407427
3-ethoxy-4-methoxy-N-(pyridin-4-ylmethyl)aniline
CID 43729883
N-[(3,5-dichlorophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 60790045
4-[(3-ethoxy-4-methoxyanilino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103202930
3-ethoxy-4-methoxy-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 62358267
3-ethoxy-4-methoxy-N-[(3-methylphenyl)methyl]aniline
CID 43729859
4-propyl-N-[(1-propylpyrrol-3-yl)methyl]aniline
CID 66399039
N-[(3-bromophenyl)methyl]-3-ethoxy-4-methoxyaniline
CID 43729850

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The IUPAC name of 3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline (CID 66416311) is 3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline.
What is the SMILES notation for 3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The canonical SMILES for 3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline is CCCn1ccc(CNc2ccc(OC)c(OCC)c2)c1.
What is the InChIKey of 3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline?
The InChIKey is ZQVOUXOMSNIWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-9-19-10-8-14(13-19)12-18-15-6-7-16(20-3)17(11-15)21-5-2/h6-8,10-11,13,18H,4-5,9,12H2,1-3H3.
What are the key properties of 3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline?
3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-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 3-ethoxy-4-methoxy-N-[(1-propylpyrrol-3-yl)methyl]aniline is sourced from PubChem (CID 66416311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).