3-ethoxy-5-pyrrolidin-1-ylaniline

C12H18N2O — CID 80725867

IUPAC3-ethoxy-5-pyrrolidin-1-ylaniline
SMILESCCOc1cc(N)cc(N2CCCC2)c1
InChIInChI=1S/C12H18N2O/c1-2-15-12-8-10(13)7-11(9-12)14-5-3-4-6-14/h7-9H,2-6,13H2,1H3
InChIKeySSTZQRQOUWQVPM-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.27
Rot. Bonds3

About 3-ethoxy-5-pyrrolidin-1-ylaniline

3-ethoxy-5-pyrrolidin-1-ylaniline (PubChem CID 80725867) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-ethoxy-5-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name3-ethoxy-5-pyrrolidin-1-ylaniline
PubChem CID80725867
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-ethoxy-5-pyrrolidin-1-ylaniline
SMILESCCOc1cc(N)cc(N2CCCC2)c1
InChIInChI=1S/C12H18N2O/c1-2-15-12-8-10(13)7-11(9-12)14-5-3-4-6-14/h7-9H,2-6,13H2,1H3
InChIKeySSTZQRQOUWQVPM-UHFFFAOYSA-N
XLogP2.27
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.27
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

3-ethoxy-5-(4-propan-2-ylpiperidin-1-yl)aniline
CID 103505085
3-ethoxy-5-(4-ethylpiperidin-1-yl)aniline
CID 80731205
3-(4-tert-butylpiperazin-1-yl)-5-ethoxyaniline
CID 80730674
2-[4-(3-amino-5-ethoxyphenyl)-1,4-diazepan-1-yl]ethanol
CID 107213906
4-(3-amino-5-ethoxyphenyl)-1-methyl-1,4-diazepan-2-one
CID 102888295
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-5-ethoxyaniline
CID 80735103
3-(azepan-1-yl)-5-methoxyaniline
CID 80725876
3-ethoxy-5-(3,4,5-trimethylpiperazin-1-yl)aniline
CID 114543034
3-ethoxy-5-(2-ethylazepan-1-yl)aniline
CID 104688796
3,5-diethoxyaniline
CID 22605063
3-(4-methylazepan-1-yl)-5-propoxyaniline
CID 80735346
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-5-ethoxyaniline
CID 80730850

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-pyrrolidin-1-ylaniline?
The IUPAC name of 3-ethoxy-5-pyrrolidin-1-ylaniline (CID 80725867) is 3-ethoxy-5-pyrrolidin-1-ylaniline.
What is the SMILES notation for 3-ethoxy-5-pyrrolidin-1-ylaniline?
The canonical SMILES for 3-ethoxy-5-pyrrolidin-1-ylaniline is CCOc1cc(N)cc(N2CCCC2)c1.
What is the InChIKey of 3-ethoxy-5-pyrrolidin-1-ylaniline?
The InChIKey is SSTZQRQOUWQVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-2-15-12-8-10(13)7-11(9-12)14-5-3-4-6-14/h7-9H,2-6,13H2,1H3.
What are the key properties of 3-ethoxy-5-pyrrolidin-1-ylaniline?
3-ethoxy-5-pyrrolidin-1-ylaniline has a molecular weight of 206.29 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-pyrrolidin-1-ylaniline is sourced from PubChem (CID 80725867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).