1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine

C16H25FN2O2 — CID 107716334

IUPAC1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccc(OCC2CN(C(C)C)CCO2)cc1F
InChIInChI=1S/C16H25FN2O2/c1-11(2)19-6-7-20-14(9-19)10-21-13-4-5-15(12(3)18)16(17)8-13/h4-5,8,11-12,14H,6-7,9-10,18H2,1-3H3
InChIKeyOCDBDMRFNAVIMI-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.33
Rot. Bonds5

About 1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine

1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine (PubChem CID 107716334) has the molecular formula C16H25FN2O2 and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
PubChem CID107716334
Molecular FormulaC16H25FN2O2
Molecular Weight296.39 g/mol
Exact Mass296.19
IUPAC Name1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
SMILESCC(N)c1ccc(OCC2CN(C(C)C)CCO2)cc1F
InChIInChI=1S/C16H25FN2O2/c1-11(2)19-6-7-20-14(9-19)10-21-13-4-5-15(12(3)18)16(17)8-13/h4-5,8,11-12,14H,6-7,9-10,18H2,1-3H3
InChIKeyOCDBDMRFNAVIMI-UHFFFAOYSA-N
XLogP2.33
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-fluoro-4-[(4-methylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 107716380
(1R)-1-[4-[(4-ethylmorpholin-2-yl)methoxy]-2-fluorophenyl]ethanamine
CID 107718195
2-[(3-fluoro-4-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 107171230
1-[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 64535499
(1S)-1-[5-methyl-2-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine
CID 78996510
[4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]methanol
CID 64533934
1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine
CID 107715743
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzenecarbothioamide
CID 64532520
2-[(2-fluoro-5-methylphenoxy)methyl]-4-propan-2-ylmorpholine
CID 64854529
4-[(4-propan-2-ylmorpholin-2-yl)methoxy]benzoic acid
CID 64533273
(1R)-1-[2-fluoro-4-[2-(oxolan-2-yl)ethoxy]phenyl]ethanamine
CID 107718599
2-[(6-bromo-3-pyridinyl)oxymethyl]-4-propan-2-ylmorpholine
CID 107396660

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine (CID 107716334) is 1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine is CC(N)c1ccc(OCC2CN(C(C)C)CCO2)cc1F.
What is the InChIKey of 1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine?
The InChIKey is OCDBDMRFNAVIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O2/c1-11(2)19-6-7-20-14(9-19)10-21-13-4-5-15(12(3)18)16(17)8-13/h4-5,8,11-12,14H,6-7,9-10,18H2,1-3H3.
What are the key properties of 1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine?
1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine has a molecular weight of 296.39 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 107716334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).