4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine

C16H24FNO — CID 103392614

IUPAC4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H24FNO/c1-19-12-16(17,9-4-10-18)15-8-3-7-14(11-15)13-5-2-6-13/h3,7-8,11,13H,2,4-6,9-10,12,18H2,1H3
InChIKeyZYMWTMFVLXQRAX-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.50
Rot. Bonds7

About 4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine

4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine (PubChem CID 103392614) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine.

Molecular Properties

Compound Name4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine
PubChem CID103392614
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine
SMILESCOCC(F)(CCCN)c1cccc(C2CCC2)c1
InChIInChI=1S/C16H24FNO/c1-19-12-16(17,9-4-10-18)15-8-3-7-14(11-15)13-5-2-6-13/h3,7-8,11,13H,2,4-6,9-10,12,18H2,1H3
InChIKeyZYMWTMFVLXQRAX-UHFFFAOYSA-N
XLogP3.50
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine?
The IUPAC name of 4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine (CID 103392614) is 4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine.
What is the SMILES notation for 4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine?
The canonical SMILES for 4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine is COCC(F)(CCCN)c1cccc(C2CCC2)c1.
What is the InChIKey of 4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine?
The InChIKey is ZYMWTMFVLXQRAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c1-19-12-16(17,9-4-10-18)15-8-3-7-14(11-15)13-5-2-6-13/h3,7-8,11,13H,2,4-6,9-10,12,18H2,1H3.
What are the key properties of 4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine?
4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclobutylphenyl)-4-fluoro-5-methoxypentan-1-amine is sourced from PubChem (CID 103392614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).