2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol

C16H22F3NO — CID 79856738

IUPAC2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCC1(C)CCCC1NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO/c1-15(2)9-3-4-14(15)20-10-13(21)11-5-7-12(8-6-11)16(17,18)19/h5-8,13-14,20-21H,3-4,9-10H2,1-2H3
InChIKeyMIQOREJNUGZHEG-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.91
Rot. Bonds4

About 2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol

2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 79856738) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID79856738
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESCC1(C)CCCC1NCC(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3NO/c1-15(2)9-3-4-14(15)20-10-13(21)11-5-7-12(8-6-11)16(17,18)19/h5-8,13-14,20-21H,3-4,9-10H2,1-2H3
InChIKeyMIQOREJNUGZHEG-UHFFFAOYSA-N
XLogP3.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,2-dimethylcyclohexyl)amino]-1-phenylethanol
CID 79828950
2-[(2,2-dimethylcyclohexyl)amino]-1-(4-methoxyphenyl)ethanol
CID 79871773
1-(2,6-difluorophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
CID 79871344
1-(3-bromophenyl)-2-[(2,2-dimethylcyclopentyl)amino]ethanol
CID 79860860
1-(3-bromophenyl)-2-[(2,2-dimethylcyclohexyl)amino]ethanol
CID 79870628
2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60901206
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
2,2-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]cyclopentan-1-amine
CID 79865086
3-[(2,2-dimethylcyclopentyl)amino]-2-phenylpropanoic acid
CID 79861761
1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol
CID 62775298
2,2-dimethyl-N-(3-methyl-2-phenylbutyl)cyclopentan-1-amine
CID 107876254
1-[(2,2-dimethylcyclopentyl)amino]-3-(1-phenylethoxy)propan-2-ol
CID 79870746

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol (CID 79856738) is 2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol is CC1(C)CCCC1NCC(O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is MIQOREJNUGZHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-15(2)9-3-4-14(15)20-10-13(21)11-5-7-12(8-6-11)16(17,18)19/h5-8,13-14,20-21H,3-4,9-10H2,1-2H3.
What are the key properties of 2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol?
2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 301.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 79856738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).