(1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine

C14H14F3NOS — CID 102675126

IUPAC(1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESC[C@@H](NCc1cccc(OC(F)(F)F)c1)c1cccs1
InChIInChI=1S/C14H14F3NOS/c1-10(13-6-3-7-20-13)18-9-11-4-2-5-12(8-11)19-14(15,16)17/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyMOUONIPJDXQOGA-SNVBAGLBSA-N
MW301.33 g/mol
LogP4.50
Rot. Bonds5

About (1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine

(1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 102675126) has the molecular formula C14H14F3NOS and a molecular weight of 301.33 g/mol. Its IUPAC name is (1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID102675126
Molecular FormulaC14H14F3NOS
Molecular Weight301.33 g/mol
Exact Mass301.07
IUPAC Name(1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESC[C@@H](NCc1cccc(OC(F)(F)F)c1)c1cccs1
InChIInChI=1S/C14H14F3NOS/c1-10(13-6-3-7-20-13)18-9-11-4-2-5-12(8-11)19-14(15,16)17/h2-8,10,18H,9H2,1H3/t10-/m1/s1
InChIKeyMOUONIPJDXQOGA-SNVBAGLBSA-N
XLogP4.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-pyridin-4-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 107104527
(1R)-N-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-1-thiophen-2-ylethanamine
CID 107342430
(1S)-N-[(3-fluorophenyl)methyl]-1-thiophen-2-ylethanamine
CID 28683392
2-[3-[[[(1R)-1-thiophen-2-ylethyl]amino]methyl]phenoxy]acetonitrile
CID 81398169
4,4,4-trifluoro-N-[[3-(trifluoromethoxy)phenyl]methyl]butan-2-amine
CID 104854651
N-benzyl-1-thiophen-2-ylethanamine
CID 43177509
(1S)-N-[(3-cyclopropylphenyl)methyl]-1-thiophen-2-ylethanamine
CID 81398469
3-[[[(1S)-1-thiophen-2-ylethyl]amino]methyl]benzonitrile
CID 28683484
N-[[3-(trifluoromethoxy)phenyl]methyl]heptan-2-amine
CID 107104430
N-[(4-methoxyphenyl)methyl]-1-thiophen-2-ylethanamine
CID 43178109
1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 86814419

Frequently Asked Questions

What is the IUPAC name of (1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of (1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 102675126) is (1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for (1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine is C[C@@H](NCc1cccc(OC(F)(F)F)c1)c1cccs1.
What is the InChIKey of (1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is MOUONIPJDXQOGA-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H14F3NOS/c1-10(13-6-3-7-20-13)18-9-11-4-2-5-12(8-11)19-14(15,16)17/h2-8,10,18H,9H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
(1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 301.33 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-thiophen-2-yl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 102675126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).