2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline

C15H24N2O — CID 113416878

IUPAC2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline
SMILESCCCC1CCN(c2cccc(OCC)c2N)C1
InChIInChI=1S/C15H24N2O/c1-3-6-12-9-10-17(11-12)13-7-5-8-14(15(13)16)18-4-2/h5,7-8,12H,3-4,6,9-11,16H2,1-2H3
InChIKeyFGNVCVUVYCBZTA-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.29
Rot. Bonds5

About 2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline

2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline (PubChem CID 113416878) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline.

Molecular Properties

Compound Name2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline
PubChem CID113416878
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline
SMILESCCCC1CCN(c2cccc(OCC)c2N)C1
InChIInChI=1S/C15H24N2O/c1-3-6-12-9-10-17(11-12)13-7-5-8-14(15(13)16)18-4-2/h5,7-8,12H,3-4,6,9-11,16H2,1-2H3
InChIKeyFGNVCVUVYCBZTA-UHFFFAOYSA-N
XLogP3.29
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[1-(2-ethoxyphenyl)pyrrolidin-3-yl]ethanol
CID 117028471
1-naphthalen-1-yl-3-propylpyrrolidine
CID 10376978
2-[1-(2-ethoxyphenyl)piperidin-3-yl]ethanamine
CID 117002698
2-(3-methylpiperidin-1-yl)-6-propoxyaniline
CID 113393275
2-(3-methoxy-4-methylpiperidin-1-yl)-6-propoxyaniline
CID 102955625
N-[[1-(2-ethoxyphenyl)pyrrolidin-3-yl]methyl]ethanamine
CID 54792876
1-(2-amino-3-ethoxyphenyl)-4-methylpiperidin-4-ol
CID 113392760
2-bromo-6-(3-propylpyrrolidin-1-yl)benzenecarbothioamide
CID 114882699
1-[2-fluoro-6-(3-propylpyrrolidin-1-yl)phenyl]ethanamine
CID 113417823
1-(2-amino-3-propoxyphenyl)-N-methylpiperidine-3-carboxamide
CID 103194379
2-amino-3-(4-propylazepan-1-yl)benzonitrile
CID 104716806
4-(3-propylpyrrolidin-1-yl)quinolin-7-amine
CID 103001744

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline?
The IUPAC name of 2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline (CID 113416878) is 2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline.
What is the SMILES notation for 2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline?
The canonical SMILES for 2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline is CCCC1CCN(c2cccc(OCC)c2N)C1.
What is the InChIKey of 2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline?
The InChIKey is FGNVCVUVYCBZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-6-12-9-10-17(11-12)13-7-5-8-14(15(13)16)18-4-2/h5,7-8,12H,3-4,6,9-11,16H2,1-2H3.
What are the key properties of 2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline?
2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline has a molecular weight of 248.37 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-(3-propylpyrrolidin-1-yl)aniline is sourced from PubChem (CID 113416878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).