2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine

C14H18F3NOS — CID 65138818

IUPAC2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine
SMILESNC(CSC1CCCC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)19-11-5-3-4-10(8-11)13(18)9-20-12-6-1-2-7-12/h3-5,8,12-13H,1-2,6-7,9,18H2
InChIKeyBJEXCIOQESKKKA-UHFFFAOYSA-N
MW305.37 g/mol
LogP4.26
Rot. Bonds5

About 2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine

2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 65138818) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine
PubChem CID65138818
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine
SMILESNC(CSC1CCCC1)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)19-11-5-3-4-10(8-11)13(18)9-20-12-6-1-2-7-12/h3-5,8,12-13H,1-2,6-7,9,18H2
InChIKeyBJEXCIOQESKKKA-UHFFFAOYSA-N
XLogP4.26
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexylsulfanyl-1-(3-methylphenyl)ethanamine
CID 64633626
1-(3-cyclobutylphenyl)-2-cyclohexylsulfanylethanamine
CID 114603312
(1R)-1-[3-(trifluoromethoxy)phenyl]propane-1,3-diamine;hydrochloride
CID 171210172
[2-cyclopentyl-1-[3-(trifluoromethoxy)phenyl]ethyl]hydrazine
CID 105305199
(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171210195
2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 115854106
(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 94895047
4-ethoxy-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 105145885
3-amino-3-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 53441902
3-amino-3-[3-(trifluoromethoxy)phenyl]propanamide
CID 103694228
(1R)-3-methyl-1-[3-(trifluoromethoxy)phenyl]but-3-en-1-amine
CID 171210205
(1S)-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171229785

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine (CID 65138818) is 2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine is NC(CSC1CCCC1)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is BJEXCIOQESKKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c15-14(16,17)19-11-5-3-4-10(8-11)13(18)9-20-12-6-1-2-7-12/h3-5,8,12-13H,1-2,6-7,9,18H2.
What are the key properties of 2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine?
2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 305.37 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentylsulfanyl-1-[3-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 65138818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).