N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline

C15H23FN2O — CID 55089409

IUPACN-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline
SMILESCCC1COC(C)CN1CCNc1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-3-13-11-19-12(2)10-18(13)9-8-17-15-7-5-4-6-14(15)16/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyKDTYDJOZOHEBHD-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.74
Rot. Bonds5

About N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline

N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline (PubChem CID 55089409) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline.

Molecular Properties

Compound NameN-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline
PubChem CID55089409
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline
SMILESCCC1COC(C)CN1CCNc1ccccc1F
InChIInChI=1S/C15H23FN2O/c1-3-13-11-19-12(2)10-18(13)9-8-17-15-7-5-4-6-14(15)16/h4-7,12-13,17H,3,8-11H2,1-2H3
InChIKeyKDTYDJOZOHEBHD-UHFFFAOYSA-N
XLogP2.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline?
The IUPAC name of N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline (CID 55089409) is N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline.
What is the SMILES notation for N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline?
The canonical SMILES for N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline is CCC1COC(C)CN1CCNc1ccccc1F.
What is the InChIKey of N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline?
The InChIKey is KDTYDJOZOHEBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-3-13-11-19-12(2)10-18(13)9-8-17-15-7-5-4-6-14(15)16/h4-7,12-13,17H,3,8-11H2,1-2H3.
What are the key properties of N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline?
N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline has a molecular weight of 266.36 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethyl-2-methylmorpholin-4-yl)ethyl]-2-fluoroaniline is sourced from PubChem (CID 55089409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).