3-[3-(cyclohexylmethoxy)-5-fluorophenyl]propan-1-amine

C16H24FNO — CID 58027598

IUPAC3-[3-(cyclohexylmethoxy)-5-fluorophenyl]propan-1-amine
SMILESNCCCc1cc(F)cc(OCC2CCCCC2)c1
InChIInChI=1S/C16H24FNO/c17-15-9-14(7-4-8-18)10-16(11-15)19-12-13-5-2-1-3-6-13/h9-11,13H,1-8,12,18H2
InChIKeyJTXFVOQGQQVUOH-UHFFFAOYSA-N
MW265.37 g/mol
LogP3.68
Rot. Bonds6

About 3-[3-(cyclohexylmethoxy)-5-fluorophenyl]propan-1-amine

3-[3-(cyclohexylmethoxy)-5-fluorophenyl]propan-1-amine (PubChem CID 58027598) has the molecular formula C16H24FNO and a molecular weight of 265.37 g/mol. Its IUPAC name is 3-[3-(cyclohexylmethoxy)-5-fluorophenyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(cyclohexylmethoxy)-5-fluorophenyl]propan-1-amine
PubChem CID58027598
Molecular FormulaC16H24FNO
Molecular Weight265.37 g/mol
Exact Mass265.18
IUPAC Name3-[3-(cyclohexylmethoxy)-5-fluorophenyl]propan-1-amine
SMILESNCCCc1cc(F)cc(OCC2CCCCC2)c1
InChIInChI=1S/C16H24FNO/c17-15-9-14(7-4-8-18)10-16(11-15)19-12-13-5-2-1-3-6-13/h9-11,13H,1-8,12,18H2
InChIKeyJTXFVOQGQQVUOH-UHFFFAOYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylmethoxy)-5-fluorophenyl]propan-1-amine?
The IUPAC name of 3-[3-(cyclohexylmethoxy)-5-fluorophenyl]propan-1-amine (CID 58027598) is 3-[3-(cyclohexylmethoxy)-5-fluorophenyl]propan-1-amine.
What is the SMILES notation for 3-[3-(cyclohexylmethoxy)-5-fluorophenyl]propan-1-amine?
The canonical SMILES for 3-[3-(cyclohexylmethoxy)-5-fluorophenyl]propan-1-amine is NCCCc1cc(F)cc(OCC2CCCCC2)c1.
What is the InChIKey of 3-[3-(cyclohexylmethoxy)-5-fluorophenyl]propan-1-amine?
The InChIKey is JTXFVOQGQQVUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO/c17-15-9-14(7-4-8-18)10-16(11-15)19-12-13-5-2-1-3-6-13/h9-11,13H,1-8,12,18H2.
What are the key properties of 3-[3-(cyclohexylmethoxy)-5-fluorophenyl]propan-1-amine?
3-[3-(cyclohexylmethoxy)-5-fluorophenyl]propan-1-amine has a molecular weight of 265.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylmethoxy)-5-fluorophenyl]propan-1-amine is sourced from PubChem (CID 58027598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).