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

C14H22FNO2 — CID 55098979

IUPAC1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol
SMILESCC(C)N(CCO)CCC(O)c1cccc(F)c1
InChIInChI=1S/C14H22FNO2/c1-11(2)16(8-9-17)7-6-14(18)12-4-3-5-13(15)10-12/h3-5,10-11,14,17-18H,6-9H2,1-2H3
InChIKeyDKKNRGMJOYIODW-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.95
Rot. Bonds7

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

1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol (PubChem CID 55098979) has the molecular formula C14H22FNO2 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol
PubChem CID55098979
Molecular FormulaC14H22FNO2
Molecular Weight255.33 g/mol
Exact Mass255.16
IUPAC Name1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol
SMILESCC(C)N(CCO)CCC(O)c1cccc(F)c1
InChIInChI=1S/C14H22FNO2/c1-11(2)16(8-9-17)7-6-14(18)12-4-3-5-13(15)10-12/h3-5,10-11,14,17-18H,6-9H2,1-2H3
InChIKeyDKKNRGMJOYIODW-UHFFFAOYSA-N
XLogP1.95
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol?
The IUPAC name of 1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol (CID 55098979) is 1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol.
What is the SMILES notation for 1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol?
The canonical SMILES for 1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol is CC(C)N(CCO)CCC(O)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol?
The InChIKey is DKKNRGMJOYIODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO2/c1-11(2)16(8-9-17)7-6-14(18)12-4-3-5-13(15)10-12/h3-5,10-11,14,17-18H,6-9H2,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol?
1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol has a molecular weight of 255.33 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-[2-hydroxyethyl(propan-2-yl)amino]propan-1-ol is sourced from PubChem (CID 55098979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).