2-(3-fluorophenyl)-1-(oxan-4-yl)ethanamine

C13H18FNO — CID 62906905

IUPAC2-(3-fluorophenyl)-1-(oxan-4-yl)ethanamine
SMILESNC(Cc1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C13H18FNO/c14-12-3-1-2-10(8-12)9-13(15)11-4-6-16-7-5-11/h1-3,8,11,13H,4-7,9,15H2
InChIKeyXRYNMDCCVVCOHQ-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.12
Rot. Bonds3

About 2-(3-fluorophenyl)-1-(oxan-4-yl)ethanamine

2-(3-fluorophenyl)-1-(oxan-4-yl)ethanamine (PubChem CID 62906905) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1-(oxan-4-yl)ethanamine
PubChem CID62906905
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-(3-fluorophenyl)-1-(oxan-4-yl)ethanamine
SMILESNC(Cc1cccc(F)c1)C1CCOCC1
InChIInChI=1S/C13H18FNO/c14-12-3-1-2-10(8-12)9-13(15)11-4-6-16-7-5-11/h1-3,8,11,13H,4-7,9,15H2
InChIKeyXRYNMDCCVVCOHQ-UHFFFAOYSA-N
XLogP2.12
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1-(oxan-4-yl)ethanamine?
The IUPAC name of 2-(3-fluorophenyl)-1-(oxan-4-yl)ethanamine (CID 62906905) is 2-(3-fluorophenyl)-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for 2-(3-fluorophenyl)-1-(oxan-4-yl)ethanamine?
The canonical SMILES for 2-(3-fluorophenyl)-1-(oxan-4-yl)ethanamine is NC(Cc1cccc(F)c1)C1CCOCC1.
What is the InChIKey of 2-(3-fluorophenyl)-1-(oxan-4-yl)ethanamine?
The InChIKey is XRYNMDCCVVCOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c14-12-3-1-2-10(8-12)9-13(15)11-4-6-16-7-5-11/h1-3,8,11,13H,4-7,9,15H2.
What are the key properties of 2-(3-fluorophenyl)-1-(oxan-4-yl)ethanamine?
2-(3-fluorophenyl)-1-(oxan-4-yl)ethanamine has a molecular weight of 223.29 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 62906905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).