3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol

C14H16FNOS — CID 107715315

IUPAC3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol
SMILESCC(N[C@H](C)c1cccs1)c1ccc(O)cc1F
InChIInChI=1S/C14H16FNOS/c1-9(12-6-5-11(17)8-13(12)15)16-10(2)14-4-3-7-18-14/h3-10,16-17H,1-2H3/t9?,10-/m1/s1
InChIKeyMRJONTPXLLCUPV-QVDQXJPCSA-N
MW265.35 g/mol
LogP4.00
Rot. Bonds4

About 3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol

3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol (PubChem CID 107715315) has the molecular formula C14H16FNOS and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol
PubChem CID107715315
Molecular FormulaC14H16FNOS
Molecular Weight265.35 g/mol
Exact Mass265.09
IUPAC Name3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol
SMILESCC(N[C@H](C)c1cccs1)c1ccc(O)cc1F
InChIInChI=1S/C14H16FNOS/c1-9(12-6-5-11(17)8-13(12)15)16-10(2)14-4-3-7-18-14/h3-10,16-17H,1-2H3/t9?,10-/m1/s1
InChIKeyMRJONTPXLLCUPV-QVDQXJPCSA-N
XLogP4.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol 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

4-[1-(1-thiophen-2-ylethylamino)ethyl]benzene-1,3-diol
CID 43206010
2-[1-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl]benzene-1,4-diol
CID 81399035
4-[1-[[(1S)-1-(2-bromophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715306
4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715286
3-fluoro-4-[1-(1-pyridin-2-ylethylamino)ethyl]phenol
CID 107714620
(1R)-N-[1-(2,6-difluorophenyl)ethyl]-1-thiophen-2-ylethanamine
CID 81398184
4-[1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethyl]benzene-1,3-diol
CID 81379941
3-fluoro-4-[1-[1-(3-fluoro-4-methylphenyl)ethylamino]ethyl]phenol
CID 107715262
2-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]naphthalen-1-ol
CID 81389862
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-1-thiophen-2-ylethanamine
CID 43206081
4-[1-[[(1R)-1-cyclopentylethyl]amino]ethyl]-3-fluorophenol
CID 107715312
1-(2-chlorophenyl)-N-[(1S)-1-thiophen-2-ylethyl]ethanamine
CID 81398285

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol (CID 107715315) is 3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol is CC(N[C@H](C)c1cccs1)c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol?
The InChIKey is MRJONTPXLLCUPV-QVDQXJPCSA-N. The full InChI is InChI=1S/C14H16FNOS/c1-9(12-6-5-11(17)8-13(12)15)16-10(2)14-4-3-7-18-14/h3-10,16-17H,1-2H3/t9?,10-/m1/s1.
What are the key properties of 3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol?
3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol has a molecular weight of 265.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]phenol is sourced from PubChem (CID 107715315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).