3-amino-1-[3-(cyclohexylmethoxy)-2-fluorophenyl]propan-1-ol

C16H24FNO2 — CID 164603675

IUPAC3-amino-1-[3-(cyclohexylmethoxy)-2-fluorophenyl]propan-1-ol
SMILESNCCC(O)c1cccc(OCC2CCCCC2)c1F
InChIInChI=1S/C16H24FNO2/c17-16-13(14(19)9-10-18)7-4-8-15(16)20-11-12-5-2-1-3-6-12/h4,7-8,12,14,19H,1-3,5-6,9-11,18H2
InChIKeyQYRPJWXBDHOLHF-UHFFFAOYSA-N
MW281.37 g/mol
LogP3.17
Rot. Bonds6

About 3-amino-1-[3-(cyclohexylmethoxy)-2-fluorophenyl]propan-1-ol

3-amino-1-[3-(cyclohexylmethoxy)-2-fluorophenyl]propan-1-ol (PubChem CID 164603675) has the molecular formula C16H24FNO2 and a molecular weight of 281.37 g/mol. Its IUPAC name is 3-amino-1-[3-(cyclohexylmethoxy)-2-fluorophenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-(cyclohexylmethoxy)-2-fluorophenyl]propan-1-ol
PubChem CID164603675
Molecular FormulaC16H24FNO2
Molecular Weight281.37 g/mol
Exact Mass281.18
IUPAC Name3-amino-1-[3-(cyclohexylmethoxy)-2-fluorophenyl]propan-1-ol
SMILESNCCC(O)c1cccc(OCC2CCCCC2)c1F
InChIInChI=1S/C16H24FNO2/c17-16-13(14(19)9-10-18)7-4-8-15(16)20-11-12-5-2-1-3-6-12/h4,7-8,12,14,19H,1-3,5-6,9-11,18H2
InChIKeyQYRPJWXBDHOLHF-UHFFFAOYSA-N
XLogP3.17
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(cyclohexylmethoxy)-2-fluorophenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-(cyclohexylmethoxy)-2-fluorophenyl]propan-1-ol (CID 164603675) is 3-amino-1-[3-(cyclohexylmethoxy)-2-fluorophenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-(cyclohexylmethoxy)-2-fluorophenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-(cyclohexylmethoxy)-2-fluorophenyl]propan-1-ol is NCCC(O)c1cccc(OCC2CCCCC2)c1F.
What is the InChIKey of 3-amino-1-[3-(cyclohexylmethoxy)-2-fluorophenyl]propan-1-ol?
The InChIKey is QYRPJWXBDHOLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FNO2/c17-16-13(14(19)9-10-18)7-4-8-15(16)20-11-12-5-2-1-3-6-12/h4,7-8,12,14,19H,1-3,5-6,9-11,18H2.
What are the key properties of 3-amino-1-[3-(cyclohexylmethoxy)-2-fluorophenyl]propan-1-ol?
3-amino-1-[3-(cyclohexylmethoxy)-2-fluorophenyl]propan-1-ol has a molecular weight of 281.37 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(cyclohexylmethoxy)-2-fluorophenyl]propan-1-ol is sourced from PubChem (CID 164603675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).