4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline

C13H19FN2O — CID 107258876

IUPAC4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline
SMILESCCC1CCCN1c1cc(OC)c(N)cc1F
InChIInChI=1S/C13H19FN2O/c1-3-9-5-4-6-16(9)12-8-13(17-2)11(15)7-10(12)14/h7-9H,3-6,15H2,1-2H3
InChIKeySLSRFERCESVFMR-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.80
Rot. Bonds3

About 4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline

4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline (PubChem CID 107258876) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline.

Molecular Properties

Compound Name4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline
PubChem CID107258876
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline
SMILESCCC1CCCN1c1cc(OC)c(N)cc1F
InChIInChI=1S/C13H19FN2O/c1-3-9-5-4-6-16(9)12-8-13(17-2)11(15)7-10(12)14/h7-9H,3-6,15H2,1-2H3
InChIKeySLSRFERCESVFMR-UHFFFAOYSA-N
XLogP2.80
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.80
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

4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline
CID 107258766
3-[1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-2-yl]propan-1-ol
CID 107259161
2-(2-ethylazepan-1-yl)-4,5-difluoroaniline
CID 112751845
2-(2-ethylazepan-1-yl)-5-fluoro-4-propan-2-yloxyaniline
CID 104688790
5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline
CID 107259299
5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline
CID 107259136
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-3-yl]methanol
CID 107258846
[1-(4-amino-2-fluoro-5-methoxyphenyl)piperidin-4-yl]methanol
CID 107258751
1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 107259191
5-fluoro-2-methoxy-4-(4-methylsulfanylpiperidin-1-yl)aniline
CID 114236644
4-(2-ethylpyrrolidin-1-yl)-3-fluorobenzaldehyde
CID 60973753
4-(3,4-dimethylpiperazin-1-yl)-5-fluoro-2-methoxyaniline
CID 107259252

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline?
The IUPAC name of 4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline (CID 107258876) is 4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline.
What is the SMILES notation for 4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline?
The canonical SMILES for 4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline is CCC1CCCN1c1cc(OC)c(N)cc1F.
What is the InChIKey of 4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline?
The InChIKey is SLSRFERCESVFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-3-9-5-4-6-16(9)12-8-13(17-2)11(15)7-10(12)14/h7-9H,3-6,15H2,1-2H3.
What are the key properties of 4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline?
4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline has a molecular weight of 238.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline is sourced from PubChem (CID 107258876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).