2-(4-ethylphenyl)-2-fluoropentan-1-amine

C13H20FN — CID 112567836

IUPAC2-(4-ethylphenyl)-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)c1ccc(CC)cc1
InChIInChI=1S/C13H20FN/c1-3-9-13(14,10-15)12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10,15H2,1-2H3
InChIKeyQXNHOTCOTHATOE-UHFFFAOYSA-N
MW209.31 g/mol
LogP3.17
Rot. Bonds5

About 2-(4-ethylphenyl)-2-fluoropentan-1-amine

2-(4-ethylphenyl)-2-fluoropentan-1-amine (PubChem CID 112567836) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-fluoropentan-1-amine.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-fluoropentan-1-amine
PubChem CID112567836
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name2-(4-ethylphenyl)-2-fluoropentan-1-amine
SMILESCCCC(F)(CN)c1ccc(CC)cc1
InChIInChI=1S/C13H20FN/c1-3-9-13(14,10-15)12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10,15H2,1-2H3
InChIKeyQXNHOTCOTHATOE-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-fluoropentan-1-amine?
The IUPAC name of 2-(4-ethylphenyl)-2-fluoropentan-1-amine (CID 112567836) is 2-(4-ethylphenyl)-2-fluoropentan-1-amine.
What is the SMILES notation for 2-(4-ethylphenyl)-2-fluoropentan-1-amine?
The canonical SMILES for 2-(4-ethylphenyl)-2-fluoropentan-1-amine is CCCC(F)(CN)c1ccc(CC)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-fluoropentan-1-amine?
The InChIKey is QXNHOTCOTHATOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN/c1-3-9-13(14,10-15)12-7-5-11(4-2)6-8-12/h5-8H,3-4,9-10,15H2,1-2H3.
What are the key properties of 2-(4-ethylphenyl)-2-fluoropentan-1-amine?
2-(4-ethylphenyl)-2-fluoropentan-1-amine has a molecular weight of 209.31 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-fluoropentan-1-amine is sourced from PubChem (CID 112567836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).