4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine

C12H17F2NO — CID 103392579

IUPAC4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)c1ccc(F)cc1
InChIInChI=1S/C12H17F2NO/c1-16-9-12(14,7-2-8-15)10-3-5-11(13)6-4-10/h3-6H,2,7-9,15H2,1H3
InChIKeyIHSVROYWHXHACT-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.38
Rot. Bonds6

About 4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine

4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine (PubChem CID 103392579) has the molecular formula C12H17F2NO and a molecular weight of 229.27 g/mol. Its IUPAC name is 4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine
PubChem CID103392579
Molecular FormulaC12H17F2NO
Molecular Weight229.27 g/mol
Exact Mass229.13
IUPAC Name4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)c1ccc(F)cc1
InChIInChI=1S/C12H17F2NO/c1-16-9-12(14,7-2-8-15)10-3-5-11(13)6-4-10/h3-6H,2,7-9,15H2,1H3
InChIKeyIHSVROYWHXHACT-UHFFFAOYSA-N
XLogP2.38
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 2835263
3-(2,2-Dimethyl-tetrahydro-pyran-4-yl)-3-(4-fluoro-phenyl)-propylamine
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[4-Methoxy-1-(2,4,5-trifluorophenyl)cyclohexyl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine?
The IUPAC name of 4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine (CID 103392579) is 4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine.
What is the SMILES notation for 4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine?
The canonical SMILES for 4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine is COCC(F)(CCCN)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine?
The InChIKey is IHSVROYWHXHACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2NO/c1-16-9-12(14,7-2-8-15)10-3-5-11(13)6-4-10/h3-6H,2,7-9,15H2,1H3.
What are the key properties of 4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine?
4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine has a molecular weight of 229.27 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(4-fluorophenyl)-5-methoxypentan-1-amine is sourced from PubChem (CID 103392579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).