2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine

C16H25FN2O2 — CID 107700549

IUPAC2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
SMILESCC(C)N1CCOC(COc2ccc(F)cc2CCN)C1
InChIInChI=1S/C16H25FN2O2/c1-12(2)19-7-8-20-15(10-19)11-21-16-4-3-14(17)9-13(16)5-6-18/h3-4,9,12,15H,5-8,10-11,18H2,1-2H3
InChIKeyXTDNLSUXZWXEND-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.81
Rot. Bonds6

About 2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine

2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine (PubChem CID 107700549) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
PubChem CID107700549
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
SMILESCC(C)N1CCOC(COc2ccc(F)cc2CCN)C1
InChIInChI=1S/C16H25FN2O2/c1-12(2)19-7-8-20-15(10-19)11-21-16-4-3-14(17)9-13(16)5-6-18/h3-4,9,12,15H,5-8,10-11,18H2,1-2H3
InChIKeyXTDNLSUXZWXEND-UHFFFAOYSA-N
XLogP1.81
TPSA47.72 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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535556
4-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 107014520
1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]propan-2-amine
CID 107700818
2-[(2-fluoro-5-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 64854529
2-[5-chloro-2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 79182378
1-[5-fluoro-2-[(4-methylmorpholin-2-yl)methoxy]phenyl]butan-2-amine
CID 107701365
2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 107171230
[6-methyl-3-[(4-propan-2-ylmorpholin-2-yl)methoxy]-2-pyridinyl]methanamine
CID 79162914
(1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 78996510
2-[(2,3-dimethylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 103432287
4-propan-2-yl-2-[(2-propan-2-ylphenoxy)methyl]morpholine
CID 64763487
1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716334

Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine (CID 107700549) is 2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine is CC(C)N1CCOC(COc2ccc(F)cc2CCN)C1.
What is the InChIKey of 2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is XTDNLSUXZWXEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-12(2)19-7-8-20-15(10-19)11-21-16-4-3-14(17)9-13(16)5-6-18/h3-4,9,12,15H,5-8,10-11,18H2,1-2H3.
What are the key properties of 2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine?
2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 296.39 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107700549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).