N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine

C16H25FN2O2 — CID 79164229

IUPACN-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(F)cc1OCC1CN(C)CCO1
InChIInChI=1S/C16H25FN2O2/c1-4-18-12(2)15-6-5-13(17)9-16(15)21-11-14-10-19(3)7-8-20-14/h5-6,9,12,14,18H,4,7-8,10-11H2,1-3H3
InChIKeyGVWLQVFBIIENCZ-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.21
Rot. Bonds6

About N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine

N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine (PubChem CID 79164229) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
PubChem CID79164229
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC NameN-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
SMILESCCNC(C)c1ccc(F)cc1OCC1CN(C)CCO1
InChIInChI=1S/C16H25FN2O2/c1-4-18-12(2)15-6-5-13(17)9-16(15)21-11-14-10-19(3)7-8-20-14/h5-6,9,12,14,18H,4,7-8,10-11H2,1-3H3
InChIKeyGVWLQVFBIIENCZ-UHFFFAOYSA-N
XLogP2.21
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-[2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79171207
2-[(2-chloro-5-fluorophenoxy)methyl]-4-methylmorpholine
CID 114264381
(1S)-1-(2,4-difluorophenyl)-N-[[(2R)-4-methylmorpholin-2-yl]methyl]ethanamine
CID 95291844
1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 107700818
1-(2-bromo-4-fluorophenyl)-N-[(4-methylmorpholin-2-yl)methyl]ethanamine
CID 103901638
N-[[3-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 107687677
1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 107701365
N-ethyl-1-[4-fluoro-2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 63065873
N-ethyl-1-[4-fluoro-2-(3-methylbutoxy)phenyl]ethanamine
CID 63065689
N-ethyl-1-[4-fluoro-2-(2-methylpropoxy)phenyl]ethanamine
CID 63066393
1-[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716380
1-[2-[2-[1-(ethylamino)ethyl]-5-fluorophenoxy]ethyl]imidazolidin-2-one
CID 63066571

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine (CID 79164229) is N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine is CCNC(C)c1ccc(F)cc1OCC1CN(C)CCO1.
What is the InChIKey of N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is GVWLQVFBIIENCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-4-18-12(2)15-6-5-13(17)9-16(15)21-11-14-10-19(3)7-8-20-14/h5-6,9,12,14,18H,4,7-8,10-11H2,1-3H3.
What are the key properties of N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine?
N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 296.39 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[4-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 79164229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).