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

C17H25FN2O — CID 68991809

IUPAC4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenyl]ethyl]morpholine
SMILESCN1CCCC1c1cc(F)cc(CCN2CCOCC2)c1
InChIInChI=1S/C17H25FN2O/c1-19-5-2-3-17(19)15-11-14(12-16(18)13-15)4-6-20-7-9-21-10-8-20/h11-13,17H,2-10H2,1H3
InChIKeyJJFQHUIZQKKRRZ-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.47
Rot. Bonds4

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

4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenyl]ethyl]morpholine (PubChem CID 68991809) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenyl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenyl]ethyl]morpholine
PubChem CID68991809
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenyl]ethyl]morpholine
SMILESCN1CCCC1c1cc(F)cc(CCN2CCOCC2)c1
InChIInChI=1S/C17H25FN2O/c1-19-5-2-3-17(19)15-11-14(12-16(18)13-15)4-6-20-7-9-21-10-8-20/h11-13,17H,2-10H2,1H3
InChIKeyJJFQHUIZQKKRRZ-UHFFFAOYSA-N
XLogP2.47
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.47
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-methylpyrrolidin-2-yl)phenyl]ethyl]morpholine?
The IUPAC name of 4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenyl]ethyl]morpholine (CID 68991809) is 4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenyl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenyl]ethyl]morpholine?
The canonical SMILES for 4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenyl]ethyl]morpholine is CN1CCCC1c1cc(F)cc(CCN2CCOCC2)c1.
What is the InChIKey of 4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenyl]ethyl]morpholine?
The InChIKey is JJFQHUIZQKKRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-19-5-2-3-17(19)15-11-14(12-16(18)13-15)4-6-20-7-9-21-10-8-20/h11-13,17H,2-10H2,1H3.
What are the key properties of 4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenyl]ethyl]morpholine?
4-[2-[3-fluoro-5-(1-methylpyrrolidin-2-yl)phenyl]ethyl]morpholine has a molecular weight of 292.40 g/mol, XLogP of 2.47, 4 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-methylpyrrolidin-2-yl)phenyl]ethyl]morpholine is sourced from PubChem (CID 68991809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).