1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol

C16H24FNO3 — CID 82791751

IUPAC1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
SMILESCCC(C)(C(O)c1cccc(OC)c1F)N1CCOCC1
InChIInChI=1S/C16H24FNO3/c1-4-16(2,18-8-10-21-11-9-18)15(19)12-6-5-7-13(20-3)14(12)17/h5-7,15,19H,4,8-11H2,1-3H3
InChIKeyFPHMGCFIRSPQEB-UHFFFAOYSA-N
MW297.37 g/mol
LogP2.37
Rot. Bonds5

About 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol

1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol (PubChem CID 82791751) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol.

Molecular Properties

Compound Name1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
PubChem CID82791751
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
SMILESCCC(C)(C(O)c1cccc(OC)c1F)N1CCOCC1
InChIInChI=1S/C16H24FNO3/c1-4-16(2,18-8-10-21-11-9-18)15(19)12-6-5-7-13(20-3)14(12)17/h5-7,15,19H,4,8-11H2,1-3H3
InChIKeyFPHMGCFIRSPQEB-UHFFFAOYSA-N
XLogP2.37
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82807900
1-(2-methoxyphenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069176
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82792077
1-(2-fluoro-3-methoxyphenyl)-2-methoxy-2-methylbutan-1-ol
CID 116751948
1-(4-chloro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol
CID 79700570
1-(3-bromo-2-fluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-ol
CID 106645115
1-(5-fluoro-2-methoxyphenyl)-2-methyl-2-morpholin-4-ylpropan-1-ol
CID 82768722
2-ethoxy-2-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-ol
CID 116752532
1-(2-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-ol
CID 79069250
1-(2-ethoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-amine
CID 79057615
1-(2-fluoro-3-methoxyphenyl)-3-methyl-3-morpholin-4-ylbutan-2-amine
CID 104794095
2-methyl-1-(4-methylphenyl)-2-morpholin-4-ylbutan-1-ol
CID 79065620

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol?
The IUPAC name of 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol (CID 82791751) is 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol.
What is the SMILES notation for 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol?
The canonical SMILES for 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol is CCC(C)(C(O)c1cccc(OC)c1F)N1CCOCC1.
What is the InChIKey of 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol?
The InChIKey is FPHMGCFIRSPQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO3/c1-4-16(2,18-8-10-21-11-9-18)15(19)12-6-5-7-13(20-3)14(12)17/h5-7,15,19H,4,8-11H2,1-3H3.
What are the key properties of 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol?
1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol has a molecular weight of 297.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-3-methoxyphenyl)-2-methyl-2-morpholin-4-ylbutan-1-ol is sourced from PubChem (CID 82791751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).