1-[1-(2-fluorophenyl)cyclohexyl]oxypropoxymethanamine

C16H24FNO2 — CID 67075201

IUPAC1-[1-(2-fluorophenyl)cyclohexyl]oxypropoxymethanamine
SMILESCCC(OCN)OC1(c2ccccc2F)CCCCC1
InChIInChI=1S/C16H24FNO2/c1-2-15(19-12-18)20-16(10-6-3-7-11-16)13-8-4-5-9-14(13)17/h4-5,8-9,15H,2-3,6-7,10-12,18H2,1H3
InChIKeyZYUHWHNRBBBIOF-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.67
Rot. Bonds6

About 1-[1-(2-fluorophenyl)cyclohexyl]oxypropoxymethanamine

1-[1-(2-fluorophenyl)cyclohexyl]oxypropoxymethanamine (PubChem CID 67075201) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)cyclohexyl]oxypropoxymethanamine.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)cyclohexyl]oxypropoxymethanamine
PubChem CID67075201
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name1-[1-(2-fluorophenyl)cyclohexyl]oxypropoxymethanamine
SMILESCCC(OCN)OC1(c2ccccc2F)CCCCC1
InChIInChI=1S/C16H24FNO2/c1-2-15(19-12-18)20-16(10-6-3-7-11-16)13-8-4-5-9-14(13)17/h4-5,8-9,15H,2-3,6-7,10-12,18H2,1H3
InChIKeyZYUHWHNRBBBIOF-UHFFFAOYSA-N
XLogP3.67
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)cyclohexyl]oxypropoxymethanamine?
The IUPAC name of 1-[1-(2-fluorophenyl)cyclohexyl]oxypropoxymethanamine (CID 67075201) is 1-[1-(2-fluorophenyl)cyclohexyl]oxypropoxymethanamine.
What is the SMILES notation for 1-[1-(2-fluorophenyl)cyclohexyl]oxypropoxymethanamine?
The canonical SMILES for 1-[1-(2-fluorophenyl)cyclohexyl]oxypropoxymethanamine is CCC(OCN)OC1(c2ccccc2F)CCCCC1.
What is the InChIKey of 1-[1-(2-fluorophenyl)cyclohexyl]oxypropoxymethanamine?
The InChIKey is ZYUHWHNRBBBIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c1-2-15(19-12-18)20-16(10-6-3-7-11-16)13-8-4-5-9-14(13)17/h4-5,8-9,15H,2-3,6-7,10-12,18H2,1H3.
What are the key properties of 1-[1-(2-fluorophenyl)cyclohexyl]oxypropoxymethanamine?
1-[1-(2-fluorophenyl)cyclohexyl]oxypropoxymethanamine has a molecular weight of 281.37 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)cyclohexyl]oxypropoxymethanamine is sourced from PubChem (CID 67075201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).