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

C14H16FNO2 — CID 65190027

IUPAC3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
SMILESCc1ccc(C(O)C(CN)c2cccc(F)c2)o1
InChIInChI=1S/C14H16FNO2/c1-9-5-6-13(18-9)14(17)12(8-16)10-3-2-4-11(15)7-10/h2-7,12,14,17H,8,16H2,1H3
InChIKeyRTTBMCBAUCDZOF-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.50
Rot. Bonds4

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

3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol (PubChem CID 65190027) has the molecular formula C14H16FNO2 and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
PubChem CID65190027
Molecular FormulaC14H16FNO2
Molecular Weight249.29 g/mol
Exact Mass249.12
IUPAC Name3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
SMILESCc1ccc(C(O)C(CN)c2cccc(F)c2)o1
InChIInChI=1S/C14H16FNO2/c1-9-5-6-13(18-9)14(17)12(8-16)10-3-2-4-11(15)7-10/h2-7,12,14,17H,8,16H2,1H3
InChIKeyRTTBMCBAUCDZOF-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-(2-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol
CID 65185914
3-amino-1-(2,5-dimethylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190697
3-amino-1-(5-bromo-2-methylphenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65309425
3-amino-1-(5-chlorofuran-2-yl)-2-(3,5-difluorophenyl)propan-1-ol
CID 106690427
1-amino-2-(3-fluorophenyl)-4,5-dimethylhexan-3-ol
CID 65190542
1-amino-2-(3-fluorophenyl)hexan-3-ol
CID 65190033
3-amino-1-(2,4-dichlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 65190026
3-amino-1-(5-chlorofuran-2-yl)-2-(3,4-dimethylphenyl)propan-1-ol
CID 106690431
1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol
CID 114877285
3-amino-1-(3-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189903
3-amino-1-(2,5-dimethylfuran-3-yl)-2-(3-methylphenyl)propan-1-ol
CID 65188216
3-amino-1,2-bis(3,5-difluorophenyl)propan-1-ol
CID 65189287

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol (CID 65190027) is 3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol is Cc1ccc(C(O)C(CN)c2cccc(F)c2)o1.
What is the InChIKey of 3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol?
The InChIKey is RTTBMCBAUCDZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-9-5-6-13(18-9)14(17)12(8-16)10-3-2-4-11(15)7-10/h2-7,12,14,17H,8,16H2,1H3.
What are the key properties of 3-amino-2-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol?
3-amino-2-(3-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-(3-fluorophenyl)-1-(5-methylfuran-2-yl)propan-1-ol is sourced from PubChem (CID 65190027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).