3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol

C17H20FNO2 — CID 65185733

IUPAC3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol
SMILESCCOc1ccccc1C(O)C(CN)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO2/c1-2-21-16-6-4-3-5-14(16)17(20)15(11-19)12-7-9-13(18)10-8-12/h3-10,15,17,20H,2,11,19H2,1H3
InChIKeyHGLCABIKJVHHIF-UHFFFAOYSA-N
MW289.35 g/mol
LogP3.00
Rot. Bonds6

About 3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol

3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol (PubChem CID 65185733) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol
PubChem CID65185733
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol
SMILESCCOc1ccccc1C(O)C(CN)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO2/c1-2-21-16-6-4-3-5-14(16)17(20)15(11-19)12-7-9-13(18)10-8-12/h3-10,15,17,20H,2,11,19H2,1H3
InChIKeyHGLCABIKJVHHIF-UHFFFAOYSA-N
XLogP3.00
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-chlorophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65186329
3-amino-2-(3-bromophenyl)-1-(2-ethoxyphenyl)propan-1-ol
CID 65187873
3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185576
3-amino-2-(2-fluorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 65185919
3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189466
2-(2-ethoxyphenyl)-2-fluoroethanamine
CID 112562684
3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79808376
3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol
CID 65186538
(1S)-3-amino-1-(2-ethoxyphenyl)propan-1-ol
CID 95732345
3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185730
3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
CID 65185223
1-(2-ethoxyphenyl)-3,3-dimethylbutane-1,2-diol
CID 103457274

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol (CID 65185733) is 3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol is CCOc1ccccc1C(O)C(CN)c1ccc(F)cc1.
What is the InChIKey of 3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol?
The InChIKey is HGLCABIKJVHHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-2-21-16-6-4-3-5-14(16)17(20)15(11-19)12-7-9-13(18)10-8-12/h3-10,15,17,20H,2,11,19H2,1H3.
What are the key properties of 3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol?
3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol has a molecular weight of 289.35 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65185733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).