3-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)aniline

C18H21FN2O2 — CID 118365502

IUPAC3-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)aniline
SMILESFc1ccc(Oc2cccc(NCCN3CCOCC3)c2)cc1
InChIInChI=1S/C18H21FN2O2/c19-15-4-6-17(7-5-15)23-18-3-1-2-16(14-18)20-8-9-21-10-12-22-13-11-21/h1-7,14,20H,8-13H2
InChIKeyVUJWWQHHUMELPD-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.36
Rot. Bonds6

About 3-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)aniline

3-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)aniline (PubChem CID 118365502) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)aniline.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)aniline
PubChem CID118365502
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name3-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)aniline
SMILESFc1ccc(Oc2cccc(NCCN3CCOCC3)c2)cc1
InChIInChI=1S/C18H21FN2O2/c19-15-4-6-17(7-5-15)23-18-3-1-2-16(14-18)20-8-9-21-10-12-22-13-11-21/h1-7,14,20H,8-13H2
InChIKeyVUJWWQHHUMELPD-UHFFFAOYSA-N
XLogP3.36
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)aniline?
The IUPAC name of 3-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)aniline (CID 118365502) is 3-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)aniline.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)aniline?
The canonical SMILES for 3-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)aniline is Fc1ccc(Oc2cccc(NCCN3CCOCC3)c2)cc1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)aniline?
The InChIKey is VUJWWQHHUMELPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c19-15-4-6-17(7-5-15)23-18-3-1-2-16(14-18)20-8-9-21-10-12-22-13-11-21/h1-7,14,20H,8-13H2.
What are the key properties of 3-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)aniline?
3-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)aniline has a molecular weight of 316.38 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-(2-morpholin-4-ylethyl)aniline is sourced from PubChem (CID 118365502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).