N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline

C14H21FN2O — CID 62560597

IUPACN-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline
SMILESCCC1CN(CCNc2cccc(F)c2)CCO1
InChIInChI=1S/C14H21FN2O/c1-2-14-11-17(8-9-18-14)7-6-16-13-5-3-4-12(15)10-13/h3-5,10,14,16H,2,6-9,11H2,1H3
InChIKeySXFUZRKEVKMBMH-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.35
Rot. Bonds5

About N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline

N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline (PubChem CID 62560597) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline.

Molecular Properties

Compound NameN-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline
PubChem CID62560597
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline
SMILESCCC1CN(CCNc2cccc(F)c2)CCO1
InChIInChI=1S/C14H21FN2O/c1-2-14-11-17(8-9-18-14)7-6-16-13-5-3-4-12(15)10-13/h3-5,10,14,16H,2,6-9,11H2,1H3
InChIKeySXFUZRKEVKMBMH-UHFFFAOYSA-N
XLogP2.35
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Related Compounds

N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoroaniline
CID 79166710
N-[2-(4-ethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 62556361
N-[2-(azepan-1-yl)ethyl]-3-fluoroaniline
CID 62575706
[3-[(2-ethylmorpholin-4-yl)methyl]-2-fluorophenyl]methanamine
CID 107113113
N-[2-(4,4-diethylpiperidin-1-yl)ethyl]-3-fluoroaniline
CID 63503645
2-ethyl-4-(2-phenylethyl)morpholine
CID 59586000
3-fluoro-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561355
3-fluoro-N-[2-(4-methylazepan-1-yl)ethyl]aniline
CID 55249992
N-[2-(2-ethylmorpholin-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 62561718
N-[2-(2,5-dimethylmorpholin-4-yl)ethyl]-3-fluoroaniline
CID 62559855
2-[(2-ethylmorpholin-4-yl)methyl]-3-fluoroaniline
CID 63330879
N-[2-(2-ethylmorpholin-4-yl)ethyl]propan-2-amine
CID 60843262

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline?
The IUPAC name of N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline (CID 62560597) is N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline.
What is the SMILES notation for N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline?
The canonical SMILES for N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline is CCC1CN(CCNc2cccc(F)c2)CCO1.
What is the InChIKey of N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline?
The InChIKey is SXFUZRKEVKMBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-2-14-11-17(8-9-18-14)7-6-16-13-5-3-4-12(15)10-13/h3-5,10,14,16H,2,6-9,11H2,1H3.
What are the key properties of N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline?
N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline has a molecular weight of 252.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylmorpholin-4-yl)ethyl]-3-fluoroaniline is sourced from PubChem (CID 62560597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).