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

C15H18FNOS — CID 65185461

IUPAC3-amino-1-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol
SMILESCCc1ccc(C(O)C(CN)c2ccccc2F)s1
InChIInChI=1S/C15H18FNOS/c1-2-10-7-8-14(19-10)15(18)12(9-17)11-5-3-4-6-13(11)16/h3-8,12,15,18H,2,9,17H2,1H3
InChIKeyLPLFVJDPLXOSKX-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.23
Rot. Bonds5

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

3-amino-1-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol (PubChem CID 65185461) has the molecular formula C15H18FNOS and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol
PubChem CID65185461
Molecular FormulaC15H18FNOS
Molecular Weight279.38 g/mol
Exact Mass279.11
IUPAC Name3-amino-1-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol
SMILESCCc1ccc(C(O)C(CN)c2ccccc2F)s1
InChIInChI=1S/C15H18FNOS/c1-2-10-7-8-14(19-10)15(18)12(9-17)11-5-3-4-6-13(11)16/h3-8,12,15,18H,2,9,17H2,1H3
InChIKeyLPLFVJDPLXOSKX-UHFFFAOYSA-N
XLogP3.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-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

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol (CID 65185461) is 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol is CCc1ccc(C(O)C(CN)c2ccccc2F)s1.
What is the InChIKey of 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol?
The InChIKey is LPLFVJDPLXOSKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNOS/c1-2-10-7-8-14(19-10)15(18)12(9-17)11-5-3-4-6-13(11)16/h3-8,12,15,18H,2,9,17H2,1H3.
What are the key properties of 3-amino-1-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol?
3-amino-1-(5-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 3.23, 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-ethylthiophen-2-yl)-2-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 65185461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).