4-[2-[3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)phenyl]ethyl]morpholine

C19H29FN2O — CID 68912809

IUPAC4-[2-[3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)phenyl]ethyl]morpholine
SMILESCC(C)N1CCCC1c1cc(F)cc(CCN2CCOCC2)c1
InChIInChI=1S/C19H29FN2O/c1-15(2)22-6-3-4-19(22)17-12-16(13-18(20)14-17)5-7-21-8-10-23-11-9-21/h12-15,19H,3-11H2,1-2H3
InChIKeyBQCSLNNLGUXYRV-UHFFFAOYSA-N
MW320.45 g/mol
LogP3.25
Rot. Bonds5

About 4-[2-[3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)phenyl]ethyl]morpholine

4-[2-[3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)phenyl]ethyl]morpholine (PubChem CID 68912809) has the molecular formula C19H29FN2O and a molecular weight of 320.45 g/mol. Its IUPAC name is 4-[2-[3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)phenyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)phenyl]ethyl]morpholine
PubChem CID68912809
Molecular FormulaC19H29FN2O
Molecular Weight320.45 g/mol
Exact Mass320.23
IUPAC Name4-[2-[3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)phenyl]ethyl]morpholine
SMILESCC(C)N1CCCC1c1cc(F)cc(CCN2CCOCC2)c1
InChIInChI=1S/C19H29FN2O/c1-15(2)22-6-3-4-19(22)17-12-16(13-18(20)14-17)5-7-21-8-10-23-11-9-21/h12-15,19H,3-11H2,1-2H3
InChIKeyBQCSLNNLGUXYRV-UHFFFAOYSA-N
XLogP3.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)phenyl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)phenyl]ethyl]morpholine (CID 68912809) is 4-[2-[3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)phenyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)phenyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)phenyl]ethyl]morpholine is CC(C)N1CCCC1c1cc(F)cc(CCN2CCOCC2)c1.
What is the InChIKey of 4-[2-[3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)phenyl]ethyl]morpholine?
The InChIKey is BQCSLNNLGUXYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN2O/c1-15(2)22-6-3-4-19(22)17-12-16(13-18(20)14-17)5-7-21-8-10-23-11-9-21/h12-15,19H,3-11H2,1-2H3.
What are the key properties of 4-[2-[3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)phenyl]ethyl]morpholine?
4-[2-[3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)phenyl]ethyl]morpholine has a molecular weight of 320.45 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-fluoro-5-(1-propan-2-ylpyrrolidin-2-yl)phenyl]ethyl]morpholine is sourced from PubChem (CID 68912809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).