3-amino-1-[3-fluoro-5-(2-propylpentoxy)phenyl]propan-1-ol

C17H28FNO2 — CID 164603613

IUPAC3-amino-1-[3-fluoro-5-(2-propylpentoxy)phenyl]propan-1-ol
SMILESCCCC(CCC)COc1cc(F)cc(C(O)CCN)c1
InChIInChI=1S/C17H28FNO2/c1-3-5-13(6-4-2)12-21-16-10-14(9-15(18)11-16)17(20)7-8-19/h9-11,13,17,20H,3-8,12,19H2,1-2H3
InChIKeyBLOWDQMWLLKIPK-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.80
Rot. Bonds10

About 3-amino-1-[3-fluoro-5-(2-propylpentoxy)phenyl]propan-1-ol

3-amino-1-[3-fluoro-5-(2-propylpentoxy)phenyl]propan-1-ol (PubChem CID 164603613) has the molecular formula C17H28FNO2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 3-amino-1-[3-fluoro-5-(2-propylpentoxy)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-amino-1-[3-fluoro-5-(2-propylpentoxy)phenyl]propan-1-ol
PubChem CID164603613
Molecular FormulaC17H28FNO2
Molecular Weight297.41 g/mol
Exact Mass297.21
IUPAC Name3-amino-1-[3-fluoro-5-(2-propylpentoxy)phenyl]propan-1-ol
SMILESCCCC(CCC)COc1cc(F)cc(C(O)CCN)c1
InChIInChI=1S/C17H28FNO2/c1-3-5-13(6-4-2)12-21-16-10-14(9-15(18)11-16)17(20)7-8-19/h9-11,13,17,20H,3-8,12,19H2,1-2H3
InChIKeyBLOWDQMWLLKIPK-UHFFFAOYSA-N
XLogP3.80
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.80
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-fluoro-5-(2-propylpentoxy)phenyl]propan-1-ol?
The IUPAC name of 3-amino-1-[3-fluoro-5-(2-propylpentoxy)phenyl]propan-1-ol (CID 164603613) is 3-amino-1-[3-fluoro-5-(2-propylpentoxy)phenyl]propan-1-ol.
What is the SMILES notation for 3-amino-1-[3-fluoro-5-(2-propylpentoxy)phenyl]propan-1-ol?
The canonical SMILES for 3-amino-1-[3-fluoro-5-(2-propylpentoxy)phenyl]propan-1-ol is CCCC(CCC)COc1cc(F)cc(C(O)CCN)c1.
What is the InChIKey of 3-amino-1-[3-fluoro-5-(2-propylpentoxy)phenyl]propan-1-ol?
The InChIKey is BLOWDQMWLLKIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28FNO2/c1-3-5-13(6-4-2)12-21-16-10-14(9-15(18)11-16)17(20)7-8-19/h9-11,13,17,20H,3-8,12,19H2,1-2H3.
What are the key properties of 3-amino-1-[3-fluoro-5-(2-propylpentoxy)phenyl]propan-1-ol?
3-amino-1-[3-fluoro-5-(2-propylpentoxy)phenyl]propan-1-ol has a molecular weight of 297.41 g/mol, XLogP of 3.80, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-fluoro-5-(2-propylpentoxy)phenyl]propan-1-ol is sourced from PubChem (CID 164603613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).