4-(4-fluorophenoxy)-3-morpholin-4-ylbutan-1-amine

C14H21FN2O2 — CID 112501047

IUPAC4-(4-fluorophenoxy)-3-morpholin-4-ylbutan-1-amine
SMILESNCCC(COc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C14H21FN2O2/c15-12-1-3-14(4-2-12)19-11-13(5-6-16)17-7-9-18-10-8-17/h1-4,13H,5-11,16H2
InChIKeyIYEQCNOJOXJSQP-UHFFFAOYSA-N
MW268.33 g/mol
LogP1.25
Rot. Bonds6

About 4-(4-fluorophenoxy)-3-morpholin-4-ylbutan-1-amine

4-(4-fluorophenoxy)-3-morpholin-4-ylbutan-1-amine (PubChem CID 112501047) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is 4-(4-fluorophenoxy)-3-morpholin-4-ylbutan-1-amine.

Molecular Properties

Compound Name4-(4-fluorophenoxy)-3-morpholin-4-ylbutan-1-amine
PubChem CID112501047
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Name4-(4-fluorophenoxy)-3-morpholin-4-ylbutan-1-amine
SMILESNCCC(COc1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C14H21FN2O2/c15-12-1-3-14(4-2-12)19-11-13(5-6-16)17-7-9-18-10-8-17/h1-4,13H,5-11,16H2
InChIKeyIYEQCNOJOXJSQP-UHFFFAOYSA-N
XLogP1.25
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenoxy)-3-morpholin-4-ylbutan-1-amine?
The IUPAC name of 4-(4-fluorophenoxy)-3-morpholin-4-ylbutan-1-amine (CID 112501047) is 4-(4-fluorophenoxy)-3-morpholin-4-ylbutan-1-amine.
What is the SMILES notation for 4-(4-fluorophenoxy)-3-morpholin-4-ylbutan-1-amine?
The canonical SMILES for 4-(4-fluorophenoxy)-3-morpholin-4-ylbutan-1-amine is NCCC(COc1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of 4-(4-fluorophenoxy)-3-morpholin-4-ylbutan-1-amine?
The InChIKey is IYEQCNOJOXJSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2/c15-12-1-3-14(4-2-12)19-11-13(5-6-16)17-7-9-18-10-8-17/h1-4,13H,5-11,16H2.
What are the key properties of 4-(4-fluorophenoxy)-3-morpholin-4-ylbutan-1-amine?
4-(4-fluorophenoxy)-3-morpholin-4-ylbutan-1-amine has a molecular weight of 268.33 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenoxy)-3-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 112501047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).