N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline

C14H21FN2O — CID 62559855

IUPACN-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline
SMILESCC1CN(CCNc2cccc(F)c2)C(C)CO1
InChIInChI=1S/C14H21FN2O/c1-11-10-18-12(2)9-17(11)7-6-16-14-5-3-4-13(15)8-14/h3-5,8,11-12,16H,6-7,9-10H2,1-2H3
InChIKeyXUPYSGVEXMWACN-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.35
Rot. Bonds4

About N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline

N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline (PubChem CID 62559855) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline
PubChem CID62559855
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline
SMILESCC1CN(CCNc2cccc(F)c2)C(C)CO1
InChIInChI=1S/C14H21FN2O/c1-11-10-18-12(2)9-17(11)7-6-16-14-5-3-4-13(15)8-14/h3-5,8,11-12,16H,6-7,9-10H2,1-2H3
InChIKeyXUPYSGVEXMWACN-UHFFFAOYSA-N
XLogP2.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline?
The IUPAC name of N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline (CID 62559855) is N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline.
What is the SMILES notation for N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline?
The canonical SMILES for N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline is CC1CN(CCNc2cccc(F)c2)C(C)CO1.
What is the InChIKey of N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline?
The InChIKey is XUPYSGVEXMWACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-11-10-18-12(2)9-17(11)7-6-16-14-5-3-4-13(15)8-14/h3-5,8,11-12,16H,6-7,9-10H2,1-2H3.
What are the key properties of N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline?
N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline has a molecular weight of 252.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline is sourced from PubChem (CID 62559855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).