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

C14H21FN2O — CID 107258766

IUPAC4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline
SMILESCCC1CCCCN1c1cc(OC)c(N)cc1F
InChIInChI=1S/C14H21FN2O/c1-3-10-6-4-5-7-17(10)13-9-14(18-2)12(16)8-11(13)15/h8-10H,3-7,16H2,1-2H3
InChIKeyGHKNVMMSMALIBZ-UHFFFAOYSA-N
MW252.33 g/mol
LogP3.19
Rot. Bonds3

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

4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline (PubChem CID 107258766) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline
PubChem CID107258766
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline
SMILESCCC1CCCCN1c1cc(OC)c(N)cc1F
InChIInChI=1S/C14H21FN2O/c1-3-10-6-4-5-7-17(10)13-9-14(18-2)12(16)8-11(13)15/h8-10H,3-7,16H2,1-2H3
InChIKeyGHKNVMMSMALIBZ-UHFFFAOYSA-N
XLogP3.19
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 53.19
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-ethylpyrrolidin-1-yl)-5-fluoro-2-methoxyaniline
CID 107258876
2-(2-ethylazepan-1-yl)-4,5-difluoroaniline
CID 112751845
3-[1-(4-amino-2-fluoro-5-methoxyphenyl)pyrrolidin-2-yl]propan-1-ol
CID 107259161
2-(2-ethylazepan-1-yl)-5-fluoro-4-propan-2-yloxyaniline
CID 104688790
2-[1-(2-amino-4,5-dimethoxyphenyl)piperidin-2-yl]ethanol
CID 83001586
5-fluoro-2-methoxy-4-(4-propylpiperidin-1-yl)aniline
CID 107259136
2-[1-(2-amino-5-ethoxy-4-fluorophenyl)piperidin-2-yl]ethanol
CID 63593025
2-[1-(2-fluoro-5-methoxy-4-nitrophenyl)piperidin-2-yl]ethanamine
CID 107260476
2-(2-ethylazepan-1-yl)-6-fluoroaniline
CID 104688888
4-(2-ethylazepan-1-yl)-3-fluorobenzonitrile
CID 104689833
[1-(2-amino-4-fluoro-5-propoxyphenyl)azepan-2-yl]methanol
CID 116634014
5-fluoro-2-methoxy-4-(4-propylazepan-1-yl)aniline
CID 107259299

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline (CID 107258766) is 4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline is CCC1CCCCN1c1cc(OC)c(N)cc1F.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline?
The InChIKey is GHKNVMMSMALIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-3-10-6-4-5-7-17(10)13-9-14(18-2)12(16)8-11(13)15/h8-10H,3-7,16H2,1-2H3.
What are the key properties of 4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline?
4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline has a molecular weight of 252.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-5-fluoro-2-methoxyaniline is sourced from PubChem (CID 107258766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).