3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol

C14H16FNO2 — CID 65185914

IUPAC3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
SMILESCc1ccc(C(O)C(CN)c2ccccc2F)o1
InChIInChI=1S/C14H16FNO2/c1-9-6-7-13(18-9)14(17)11(8-16)10-4-2-3-5-12(10)15/h2-7,11,14,17H,8,16H2,1H3
InChIKeyJLLFIAGXLLODLY-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.50
Rot. Bonds4

About 3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol

3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol (PubChem CID 65185914) has the molecular formula C14H16FNO2 and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
PubChem CID65185914
Molecular FormulaC14H16FNO2
Molecular Weight249.29 g/mol
Exact Mass249.12
IUPAC Name3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
SMILESCc1ccc(C(O)C(CN)c2ccccc2F)o1
InChIInChI=1S/C14H16FNO2/c1-9-6-7-13(18-9)14(17)11(8-16)10-4-2-3-5-12(10)15/h2-7,11,14,17H,8,16H2,1H3
InChIKeyJLLFIAGXLLODLY-UHFFFAOYSA-N
XLogP2.50
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
CID 65190027
3-amino-2-(2-fluorophenyl)-1-(2-methylsulfanylphenyl)propan-1-ol
CID 79206013
3-amino-1-(2,4-dimethylphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185462
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
3-amino-1-(2,4-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185411
3-amino-1-(4-chloro-2,5-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 82772706
3-amino-1-(3-fluoro-4-methoxyphenyl)-2-(2-fluorophenyl)propan-1-ol
CID 65185510
3-amino-1-(2,5-dibromophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 114376051
2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol
CID 63016605
3-amino-1-(2-fluoro-3-methylphenyl)-2-(2-methylphenyl)propan-1-ol
CID 81478773
1-amino-2-(2-fluorophenyl)-4-methylheptan-3-ol
CID 65185567

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol (CID 65185914) is 3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol is Cc1ccc(C(O)C(CN)c2ccccc2F)o1.
What is the InChIKey of 3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol?
The InChIKey is JLLFIAGXLLODLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-9-6-7-13(18-9)14(17)11(8-16)10-4-2-3-5-12(10)15/h2-7,11,14,17H,8,16H2,1H3.
What are the key properties of 3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol?
3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol has a molecular weight of 249.29 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol is sourced from PubChem (CID 65185914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).