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

C15H18FNO2 — CID 79083607

IUPAC3-amino-1-(5-ethylfuran-2-yl)-2-(4-fluorophenyl)propan-1-ol
SMILESCCc1ccc(C(O)C(CN)c2ccc(F)cc2)o1
InChIInChI=1S/C15H18FNO2/c1-2-12-7-8-14(19-12)15(18)13(9-17)10-3-5-11(16)6-4-10/h3-8,13,15,18H,2,9,17H2,1H3
InChIKeyNZFLHYGRQFAICM-UHFFFAOYSA-N
MW263.31 g/mol
LogP2.76
Rot. Bonds5

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

3-amino-1-(5-ethylfuran-2-yl)-2-(4-fluorophenyl)propan-1-ol (PubChem CID 79083607) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is 3-amino-1-(5-ethylfuran-2-yl)-2-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-ethylfuran-2-yl)-2-(4-fluorophenyl)propan-1-ol
PubChem CID79083607
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Name3-amino-1-(5-ethylfuran-2-yl)-2-(4-fluorophenyl)propan-1-ol
SMILESCCc1ccc(C(O)C(CN)c2ccc(F)cc2)o1
InChIInChI=1S/C15H18FNO2/c1-2-12-7-8-14(19-12)15(18)13(9-17)10-3-5-11(16)6-4-10/h3-8,13,15,18H,2,9,17H2,1H3
InChIKeyNZFLHYGRQFAICM-UHFFFAOYSA-N
XLogP2.76
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(5-ethylfuran-2-yl)-2-(4-fluorophenyl)propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-Ethylbenzofuran-2-yl)-2-(propylamino)ethanol
CID 10423975
1-(Furan-2-yl)-2-methyl-1-phenyl-3-(pyrrolidin-1-yl)propan-1-ol
CID 199420
2-(4-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]acetamide
CID 49670513
1-(1-Benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol;hydrochloride
CID 54605766
2-(4-Fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
(S)-3-(4-fluoro-2-tolylsulfonylamino)-1-(2-furyl)-1-propanol
CID 96350249
(1R)-1-(1-benzofuran-2-yl)-3-(propan-2-ylamino)propan-1-ol
CID 3246308
4-Amino-1,1,1-trifluoro-2-(5-methylfuran-2-yl)butan-2-ol
CID 16227736
3-Amino-1-(furan-2-yl)butan-1-ol
CID 71756031
(1R,2S)-3-fluoro-1-(furan-2-yl)-2-(2-phenylethyl)pent-3-en-1-ol
CID 134854187
(1S,2S)-2-amino-1-(furan-2-yl)-3-phenylpropan-1-ol
CID 16060309
N-(2-hydroxy-2-(5-methylfuran-2-yl)ethyl)-4-phenyltetrahydro-2H-pyran-4-carboxamide
CID 49676687

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-ethylfuran-2-yl)-2-(4-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-ethylfuran-2-yl)-2-(4-fluorophenyl)propan-1-ol (CID 79083607) is 3-amino-1-(5-ethylfuran-2-yl)-2-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-ethylfuran-2-yl)-2-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-ethylfuran-2-yl)-2-(4-fluorophenyl)propan-1-ol is CCc1ccc(C(O)C(CN)c2ccc(F)cc2)o1.
What is the InChIKey of 3-amino-1-(5-ethylfuran-2-yl)-2-(4-fluorophenyl)propan-1-ol?
The InChIKey is NZFLHYGRQFAICM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-2-12-7-8-14(19-12)15(18)13(9-17)10-3-5-11(16)6-4-10/h3-8,13,15,18H,2,9,17H2,1H3.
What are the key properties of 3-amino-1-(5-ethylfuran-2-yl)-2-(4-fluorophenyl)propan-1-ol?
3-amino-1-(5-ethylfuran-2-yl)-2-(4-fluorophenyl)propan-1-ol has a molecular weight of 263.31 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(5-ethylfuran-2-yl)-2-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 79083607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).