2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol

C14H18F3NOS — CID 61055172

IUPAC2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESOCC(NC1CCCC1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)20-12-7-5-10(6-8-12)13(9-19)18-11-3-1-2-4-11/h5-8,11,13,18-19H,1-4,9H2
InChIKeyAXTSOAYLQMVVAR-UHFFFAOYSA-N
MW305.37 g/mol
LogP3.86
Rot. Bonds5

About 2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol

2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol (PubChem CID 61055172) has the molecular formula C14H18F3NOS and a molecular weight of 305.37 g/mol. Its IUPAC name is 2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
PubChem CID61055172
Molecular FormulaC14H18F3NOS
Molecular Weight305.37 g/mol
Exact Mass305.11
IUPAC Name2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
SMILESOCC(NC1CCCC1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H18F3NOS/c15-14(16,17)20-12-7-5-10(6-8-12)13(9-19)18-11-3-1-2-4-11/h5-8,11,13,18-19H,1-4,9H2
InChIKeyAXTSOAYLQMVVAR-UHFFFAOYSA-N
XLogP3.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(cyclopentylamino)-2-hydroxyethyl]phenol
CID 61056997
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
CID 61047131
2-(cyclopropylamino)-2-[4-(difluoromethyl)phenyl]ethanol
CID 115525129
1-[4-(trifluoromethylsulfanyl)phenyl]ethane-1,2-diol
CID 73129063
(2S)-2-(cyclopropylamino)-2-phenylethanol
CID 93471499
2-(cycloheptylamino)-2-(3,4-dimethylphenyl)ethanol
CID 61055162
2-(thian-3-ylamino)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 86787594
2-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)ethanol
CID 81165963
2-(4-bromo-3-chlorophenyl)-2-(cyclopentylamino)ethanol
CID 114077187
2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(cyclopentylamino)ethanol
CID 141286035
N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 65384746
2-(cyclopentylamino)-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60850132

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The IUPAC name of 2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol (CID 61055172) is 2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol.
What is the SMILES notation for 2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The canonical SMILES for 2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol is OCC(NC1CCCC1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of 2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
The InChIKey is AXTSOAYLQMVVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NOS/c15-14(16,17)20-12-7-5-10(6-8-12)13(9-19)18-11-3-1-2-4-11/h5-8,11,13,18-19H,1-4,9H2.
What are the key properties of 2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol?
2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol has a molecular weight of 305.37 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol is sourced from PubChem (CID 61055172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).