3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol

C16H20FNO2 — CID 65185223

IUPAC3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
SMILESCc1oc(C)c(C(O)C(CN)c2ccc(F)cc2)c1C
InChIInChI=1S/C16H20FNO2/c1-9-10(2)20-11(3)15(9)16(19)14(8-18)12-4-6-13(17)7-5-12/h4-7,14,16,19H,8,18H2,1-3H3
InChIKeyCOSIIBZAPBRATQ-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.12
Rot. Bonds4

About 3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol

3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol (PubChem CID 65185223) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is 3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
PubChem CID65185223
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
SMILESCc1oc(C)c(C(O)C(CN)c2ccc(F)cc2)c1C
InChIInChI=1S/C16H20FNO2/c1-9-10(2)20-11(3)15(9)16(19)14(8-18)12-4-6-13(17)7-5-12/h4-7,14,16,19H,8,18H2,1-3H3
InChIKeyCOSIIBZAPBRATQ-UHFFFAOYSA-N
XLogP3.12
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(3,5-dimethylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185730
3-amino-2-(2-methylphenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol
CID 65185130
3-amino-1-(4-fluorophenyl)-2-(4-propan-2-ylphenyl)propan-1-ol
CID 65189466
3-amino-1-(5-fluoro-2-methylphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185576
3-amino-2-(4-fluorophenyl)-1-(furan-3-yl)propan-1-ol
CID 65185271
3-amino-2-(4-fluorophenyl)-1-(4-methylthiophen-3-yl)propan-1-ol
CID 79808376
3-amino-1-(2-ethoxyphenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185733
3-amino-1-(4-fluoro-3-methylphenyl)-2-(4-methylphenyl)propan-1-ol
CID 65187891
3-amino-1-(3,5-difluorophenyl)-2-(4-methoxyphenyl)propan-1-ol
CID 65185300
2-[4-(4-fluorophenyl)phenyl]-3-methylbutan-1-amine
CID 82089305
3-amino-1-(2,4-dichlorophenyl)-2-(4-fluorophenyl)propan-1-ol
CID 65185321
3-amino-1-(5-fluoro-2-methylphenyl)-2-phenylpropan-1-ol
CID 65186538

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol?
The IUPAC name of 3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol (CID 65185223) is 3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol?
The canonical SMILES for 3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol is Cc1oc(C)c(C(O)C(CN)c2ccc(F)cc2)c1C.
What is the InChIKey of 3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol?
The InChIKey is COSIIBZAPBRATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c1-9-10(2)20-11(3)15(9)16(19)14(8-18)12-4-6-13(17)7-5-12/h4-7,14,16,19H,8,18H2,1-3H3.
What are the key properties of 3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol?
3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol has a molecular weight of 277.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(4-fluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)propan-1-ol is sourced from PubChem (CID 65185223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).