1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol

C14H22FNO3 — CID 106989639

IUPAC1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNC(C)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO3/c1-11(12-3-5-13(15)6-4-12)16-9-14(17)10-19-8-7-18-2/h3-6,11,14,16-17H,7-10H2,1-2H3
InChIKeyRUQFHVQIQILKRJ-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.50
Rot. Bonds9

About 1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol

1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol (PubChem CID 106989639) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
PubChem CID106989639
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
SMILESCOCCOCC(O)CNC(C)c1ccc(F)cc1
InChIInChI=1S/C14H22FNO3/c1-11(12-3-5-13(15)6-4-12)16-9-14(17)10-19-8-7-18-2/h3-6,11,14,16-17H,7-10H2,1-2H3
InChIKeyRUQFHVQIQILKRJ-UHFFFAOYSA-N
XLogP1.50
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-methoxypropan-2-ol
CID 81348369
1-(2-ethoxyethoxy)-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 81348053
1-[1-(3-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989658
1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-3-(2-methylpropoxy)propan-2-ol
CID 81348160
1-[1-(4-fluorophenyl)propan-2-ylamino]-3-(2-methoxyethoxy)propan-2-ol
CID 106989898
1-(4-fluorophenyl)-N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]ethanamine
CID 104561982
N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(2-methoxyethoxy)propan-1-amine
CID 28720966
(2S)-1-[(2-chlorophenyl)methoxy]-3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 2118266
1-methoxy-3-[[(1R)-1-phenylethyl]amino]propan-2-ol
CID 78953875
1-(2-methoxyethoxy)-3-[[(1S)-1-(2-methylphenyl)ethyl]amino]propan-2-ol
CID 106990258
1-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 81355790
(2R)-1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]propan-2-ol
CID 93033609

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol?
The IUPAC name of 1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol (CID 106989639) is 1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol is COCCOCC(O)CNC(C)c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol?
The InChIKey is RUQFHVQIQILKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-11(12-3-5-13(15)6-4-12)16-9-14(17)10-19-8-7-18-2/h3-6,11,14,16-17H,7-10H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol?
1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol has a molecular weight of 271.33 g/mol, XLogP of 1.50, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)ethylamino]-3-(2-methoxyethoxy)propan-2-ol is sourced from PubChem (CID 106989639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).