2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol

C14H15ClFNOS — CID 103881398

IUPAC2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol
SMILESCC(NCC(O)c1ccsc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H15ClFNOS/c1-9(10-2-3-12(15)13(16)6-10)17-7-14(18)11-4-5-19-8-11/h2-6,8-9,14,17-18H,7H2,1H3
InChIKeyNBXUBKPJHNBLOY-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.92
Rot. Bonds5

About 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol

2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol (PubChem CID 103881398) has the molecular formula C14H15ClFNOS and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol
PubChem CID103881398
Molecular FormulaC14H15ClFNOS
Molecular Weight299.80 g/mol
Exact Mass299.05
IUPAC Name2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol
SMILESCC(NCC(O)c1ccsc1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H15ClFNOS/c1-9(10-2-3-12(15)13(16)6-10)17-7-14(18)11-4-5-19-8-11/h2-6,8-9,14,17-18H,7H2,1H3
InChIKeyNBXUBKPJHNBLOY-UHFFFAOYSA-N
XLogP3.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3-fluorophenyl)-N-(thiophen-3-ylmethyl)ethanamine
CID 82889413
2-[1-(4-tert-butylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717092
2-[1-(3,4-dimethoxyphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103717090
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-1-thiophen-3-ylethanol
CID 103785241
1-(4-chloro-3-fluorophenyl)-2-(methylamino)ethanol
CID 62773520
2-[1-(3,4-dichlorophenyl)propylamino]-1-thiophen-3-ylethanol
CID 103785268
2-[1-(4-propylphenyl)ethylamino]-1-thiophen-3-ylethanol
CID 103785297
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,3,3-trimethylbutan-1-amine
CID 83141596
(1S)-2-[[(1R)-1-(4-methyl-3-nitrophenyl)ethyl]amino]-1-thiophen-3-ylethanol
CID 97232542
1-thiophen-3-yl-2-[1-(2,4,6-trimethylphenyl)ethylamino]ethanol
CID 103785265
2-[1-(3-chlorophenyl)ethylamino]-1-(3,4-difluorophenyl)ethanol
CID 60981403
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81370353

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol (CID 103881398) is 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol is CC(NCC(O)c1ccsc1)c1ccc(Cl)c(F)c1.
What is the InChIKey of 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol?
The InChIKey is NBXUBKPJHNBLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFNOS/c1-9(10-2-3-12(15)13(16)6-10)17-7-14(18)11-4-5-19-8-11/h2-6,8-9,14,17-18H,7H2,1H3.
What are the key properties of 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol?
2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol has a molecular weight of 299.80 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-3-fluorophenyl)ethylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 103881398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).