1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol

C15H16F3NOS — CID 106434786

IUPAC1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol
SMILESOC(CNC(CC(F)(F)F)c1ccccc1)c1ccsc1
InChIInChI=1S/C15H16F3NOS/c16-15(17,18)8-13(11-4-2-1-3-5-11)19-9-14(20)12-6-7-21-10-12/h1-7,10,13-14,19-20H,8-9H2
InChIKeyNDRKILZTMPHLDM-UHFFFAOYSA-N
MW315.36 g/mol
LogP4.06
Rot. Bonds6

About 1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol

1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol (PubChem CID 106434786) has the molecular formula C15H16F3NOS and a molecular weight of 315.36 g/mol. Its IUPAC name is 1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol.

Molecular Properties

Compound Name1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol
PubChem CID106434786
Molecular FormulaC15H16F3NOS
Molecular Weight315.36 g/mol
Exact Mass315.09
IUPAC Name1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol
SMILESOC(CNC(CC(F)(F)F)c1ccccc1)c1ccsc1
InChIInChI=1S/C15H16F3NOS/c16-15(17,18)8-13(11-4-2-1-3-5-11)19-9-14(20)12-6-7-21-10-12/h1-7,10,13-14,19-20H,8-9H2
InChIKeyNDRKILZTMPHLDM-UHFFFAOYSA-N
XLogP4.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.36
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol
CID 97232548
(1S)-1-thiophen-3-yl-2-[[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]amino]ethanol
CID 97232550
4,4-dimethyl-1-[(3,3,3-trifluoro-1-phenylpropyl)amino]pentan-2-ol
CID 107151412
1-thiophen-3-yl-2-(4,4,4-trifluorobutylamino)ethanol
CID 106435115
2-[1-(4-ethylphenyl)propylamino]-1-thiophen-3-ylethanol
CID 103785307
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol
CID 64565518
2-(dithiophen-2-ylmethylamino)-1-thiophen-3-ylethanol
CID 106434757
2,2-difluoro-3-[(3,3,3-trifluoro-1-phenylpropyl)amino]propan-1-ol
CID 106172903
(1R)-2-[[(1S)-1-(1-phenylcyclopentyl)ethyl]amino]-1-thiophen-3-ylethanol
CID 100680717
3,3,3-trifluoro-1-phenyl-N-(1,3-thiazol-4-ylmethyl)propan-1-amine
CID 55150406
1-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-phenylpropan-2-ol
CID 106435302

Frequently Asked Questions

What is the IUPAC name of 1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol?
The IUPAC name of 1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol (CID 106434786) is 1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol.
What is the SMILES notation for 1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol?
The canonical SMILES for 1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol is OC(CNC(CC(F)(F)F)c1ccccc1)c1ccsc1.
What is the InChIKey of 1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol?
The InChIKey is NDRKILZTMPHLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NOS/c16-15(17,18)8-13(11-4-2-1-3-5-11)19-9-14(20)12-6-7-21-10-12/h1-7,10,13-14,19-20H,8-9H2.
What are the key properties of 1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol?
1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol has a molecular weight of 315.36 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-3-yl-2-[(3,3,3-trifluoro-1-phenylpropyl)amino]ethanol is sourced from PubChem (CID 106434786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).