1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol

C15H24FNO2 — CID 107717911

IUPAC1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol
SMILESCCCNC(C)c1ccc(OCC(C)(C)O)cc1F
InChIInChI=1S/C15H24FNO2/c1-5-8-17-11(2)13-7-6-12(9-14(13)16)19-10-15(3,4)18/h6-7,9,11,17-18H,5,8,10H2,1-4H3
InChIKeyYLRXTBYSPOJKTO-UHFFFAOYSA-N
MW269.36 g/mol
LogP3.04
Rot. Bonds7

About 1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol

1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol (PubChem CID 107717911) has the molecular formula C15H24FNO2 and a molecular weight of 269.36 g/mol. Its IUPAC name is 1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol
PubChem CID107717911
Molecular FormulaC15H24FNO2
Molecular Weight269.36 g/mol
Exact Mass269.18
IUPAC Name1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol
SMILESCCCNC(C)c1ccc(OCC(C)(C)O)cc1F
InChIInChI=1S/C15H24FNO2/c1-5-8-17-11(2)13-7-6-12(9-14(13)16)19-10-15(3,4)18/h6-7,9,11,17-18H,5,8,10H2,1-4H3
InChIKeyYLRXTBYSPOJKTO-UHFFFAOYSA-N
XLogP3.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[1-(ethylamino)ethyl]-3-fluorophenoxy]-2,3-dimethylbutan-2-ol
CID 107717321
N-[1-[4-(2-chloroprop-2-enoxy)-2-fluorophenyl]ethyl]propan-1-amine
CID 107717673
N-[1-[2-fluoro-4-(2-methoxypropoxy)phenyl]ethyl]propan-1-amine
CID 107717881
methyl 3-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]propanoate
CID 107717592
N-[1-(2-fluoro-4-pent-3-ynoxyphenyl)ethyl]propan-1-amine
CID 107717623
N-[1-[2-fluoro-4-(thiophen-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 107717923
1-[1-(2-fluoro-4-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 65103428
N-[1-[2-fluoro-4-(1-methoxypropan-2-yloxy)phenyl]ethyl]propan-1-amine
CID 107717617
N-[1-[2-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]ethyl]propan-1-amine
CID 107717703
2-methyl-1-[4-[3-(propylamino)butyl]phenoxy]propan-2-ol
CID 60881953
N-[1-(4-cyclohexyloxy-2-fluorophenyl)ethyl]propan-1-amine
CID 107717660
2-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]butanenitrile
CID 107717983

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol?
The IUPAC name of 1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol (CID 107717911) is 1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol?
The canonical SMILES for 1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol is CCCNC(C)c1ccc(OCC(C)(C)O)cc1F.
What is the InChIKey of 1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol?
The InChIKey is YLRXTBYSPOJKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2/c1-5-8-17-11(2)13-7-6-12(9-14(13)16)19-10-15(3,4)18/h6-7,9,11,17-18H,5,8,10H2,1-4H3.
What are the key properties of 1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol?
1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol has a molecular weight of 269.36 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[1-(propylamino)ethyl]phenoxy]-2-methylpropan-2-ol is sourced from PubChem (CID 107717911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).