1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride

C13H19ClFNO — CID 131675141

IUPAC1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
SMILESCl.NC(CC1CCOCC1)c1ccccc1F
InChIInChI=1S/C13H18FNO.ClH/c14-12-4-2-1-3-11(12)13(15)9-10-5-7-16-8-6-10;/h1-4,10,13H,5-9,15H2;1H
InChIKeyOVUJCNVWUXIXNE-UHFFFAOYSA-N
MW259.75 g/mol
LogP3.06
Rot. Bonds3

About 1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride

1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride (PubChem CID 131675141) has the molecular formula C13H19ClFNO and a molecular weight of 259.75 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
PubChem CID131675141
Molecular FormulaC13H19ClFNO
Molecular Weight259.75 g/mol
Exact Mass259.11
IUPAC Name1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
SMILESCl.NC(CC1CCOCC1)c1ccccc1F
InChIInChI=1S/C13H18FNO.ClH/c14-12-4-2-1-3-11(12)13(15)9-10-5-7-16-8-6-10;/h1-4,10,13H,5-9,15H2;1H
InChIKeyOVUJCNVWUXIXNE-UHFFFAOYSA-N
XLogP3.06
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.75
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 131637584
1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine
CID 62601835
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1-(2-fluorophenyl)-2-(oxolan-3-yl)ethanol
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N-[2-(2-fluorophenyl)-3-(oxan-4-yl)propyl]-2-methylpropan-1-amine
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4-[1-(2-fluorophenyl)ethyl]oxane
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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride (CID 131675141) is 1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride is Cl.NC(CC1CCOCC1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride?
The InChIKey is OVUJCNVWUXIXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO.ClH/c14-12-4-2-1-3-11(12)13(15)9-10-5-7-16-8-6-10;/h1-4,10,13H,5-9,15H2;1H.
What are the key properties of 1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride?
1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride has a molecular weight of 259.75 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride is sourced from PubChem (CID 131675141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).