2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine

C13H18FNO — CID 84725250

IUPAC2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(C2(F)CCOC2)cc1
InChIInChI=1S/C13H18FNO/c1-15-8-6-11-2-4-12(5-3-11)13(14)7-9-16-10-13/h2-5,15H,6-10H2,1H3
InChIKeyWSITUTDFEGGUSN-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.03
Rot. Bonds4

About 2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine

2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine (PubChem CID 84725250) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine
PubChem CID84725250
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine
SMILESCNCCc1ccc(C2(F)CCOC2)cc1
InChIInChI=1S/C13H18FNO/c1-15-8-6-11-2-4-12(5-3-11)13(14)7-9-16-10-13/h2-5,15H,6-10H2,1H3
InChIKeyWSITUTDFEGGUSN-UHFFFAOYSA-N
XLogP2.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine?
The IUPAC name of 2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine (CID 84725250) is 2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine.
What is the SMILES notation for 2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine?
The canonical SMILES for 2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine is CNCCc1ccc(C2(F)CCOC2)cc1.
What is the InChIKey of 2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine?
The InChIKey is WSITUTDFEGGUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-15-8-6-11-2-4-12(5-3-11)13(14)7-9-16-10-13/h2-5,15H,6-10H2,1H3.
What are the key properties of 2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine?
2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine has a molecular weight of 223.29 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorooxolan-3-yl)phenyl]-N-methylethanamine is sourced from PubChem (CID 84725250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).