3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol

C16H17F2NO2 — CID 65185510

IUPAC3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(CN)c2ccccc2F)cc1F
InChIInChI=1S/C16H17F2NO2/c1-21-15-7-6-10(8-14(15)18)16(20)12(9-19)11-4-2-3-5-13(11)17/h2-8,12,16,20H,9,19H2,1H3
InChIKeyXTTJJRHQMRAQMX-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.75
Rot. Bonds5

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

3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol (PubChem CID 65185510) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
PubChem CID65185510
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC Name3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
SMILESCOc1ccc(C(O)C(CN)c2ccccc2F)cc1F
InChIInChI=1S/C16H17F2NO2/c1-21-15-7-6-10(8-14(15)18)16(20)12(9-19)11-4-2-3-5-13(11)17/h2-8,12,16,20H,9,19H2,1H3
InChIKeyXTTJJRHQMRAQMX-UHFFFAOYSA-N
XLogP2.75
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187886
3-amino-2-(2-fluorophenyl)-1-(4-fluorophenyl)propan-1-ol
CID 65185919
3-amino-1-(3,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185415
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
3-amino-2-(5-chloro-2-methoxyphenyl)-1-(3-fluorophenyl)propan-1-ol
CID 65190720
3-amino-1-(3,4-dimethoxyphenyl)-2-phenylpropan-1-ol
CID 65186149
(3-fluoro-4-methoxyphenyl)-naphthalen-1-ylmethanol
CID 61080907
3-amino-1-(3,5-dimethylphenyl)-2-(2-methoxyphenyl)propan-1-ol
CID 65190689
3-amino-1-(3-bromo-4-chlorophenyl)-2-(2-methoxyphenyl)propan-1-ol
CID 107994881
3-amino-2-(2-chlorophenyl)-1-(3,4-difluorophenyl)propan-1-ol
CID 65184409
3-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-(2-fluorophenyl)propan-1-ol
CID 65185260
3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79206013

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol (CID 65185510) is 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol is COc1ccc(C(O)C(CN)c2ccccc2F)cc1F.
What is the InChIKey of 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol?
The InChIKey is XTTJJRHQMRAQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-21-15-7-6-10(8-14(15)18)16(20)12(9-19)11-4-2-3-5-13(11)17/h2-8,12,16,20H,9,19H2,1H3.
What are the key properties of 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol?
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol has a molecular weight of 293.31 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65185510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).