1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol

C15H24FNO3 — CID 81348053

IUPAC1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
SMILESCCOCCOCC(O)CN[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO3/c1-3-19-8-9-20-11-15(18)10-17-12(2)13-4-6-14(16)7-5-13/h4-7,12,15,17-18H,3,8-11H2,1-2H3/t12-,15?/m0/s1
InChIKeyOEZUJPBMBAGTKK-SFVWDYPZSA-N
MW285.36 g/mol
LogP1.89
Rot. Bonds10

About 1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol

1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol (PubChem CID 81348053) has the molecular formula C15H24FNO3 and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
PubChem CID81348053
Molecular FormulaC15H24FNO3
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC Name1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
SMILESCCOCCOCC(O)CN[C@@H](C)c1ccc(F)cc1
InChIInChI=1S/C15H24FNO3/c1-3-19-8-9-20-11-15(18)10-17-12(2)13-4-6-14(16)7-5-13/h4-7,12,15,17-18H,3,8-11H2,1-2H3/t12-,15?/m0/s1
InChIKeyOEZUJPBMBAGTKK-SFVWDYPZSA-N
XLogP1.89
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989639
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81348160
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81348369
1-ethoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78954638
1-[1-(3-bromophenyl)ethylamino]-3-(2-ethoxyethoxy)propan-2-ol
CID 60746287
(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 2118266
1-(2-ethoxyethoxy)-3-[1-(furan-2-yl)ethylamino]propan-2-ol
CID 54938711
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 81355790
1-[1-(3-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989658
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609
1-(2-butoxyethoxy)-3-[[(1S)-1-pyridin-4-ylethyl]amino]propan-2-ol
CID 81395520
N-ethyl-1-(4-fluorophenyl)ethanamine
CID 21251078

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol?
The IUPAC name of 1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol (CID 81348053) is 1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol.
What is the SMILES notation for 1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol?
The canonical SMILES for 1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol is CCOCCOCC(O)CN[C@@H](C)c1ccc(F)cc1.
What is the InChIKey of 1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol?
The InChIKey is OEZUJPBMBAGTKK-SFVWDYPZSA-N. The full InChI is InChI=1S/C15H24FNO3/c1-3-19-8-9-20-11-15(18)10-17-12(2)13-4-6-14(16)7-5-13/h4-7,12,15,17-18H,3,8-11H2,1-2H3/t12-,15?/m0/s1.
What are the key properties of 1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol?
1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol has a molecular weight of 285.36 g/mol, XLogP of 1.89, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol is sourced from PubChem (CID 81348053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).