2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol

C14H18F3NO — CID 60901206

IUPAC2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCC1CCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-6-4-11(5-7-12)13(19)9-18-8-10-2-1-3-10/h4-7,10,13,18-19H,1-3,8-9H2
InChIKeyBUGTXWIKLQUMIQ-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.13
Rot. Bonds5

About 2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol

2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol (PubChem CID 60901206) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
PubChem CID60901206
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
SMILESOC(CNCC1CCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)12-6-4-11(5-7-12)13(19)9-18-8-10-2-1-3-10/h4-7,10,13,18-19H,1-3,8-9H2
InChIKeyBUGTXWIKLQUMIQ-UHFFFAOYSA-N
XLogP3.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(cyclopropylmethylamino)-1-hydroxyethyl]phenol
CID 130406696
(1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 67344023
cyclobutyl-[4-(trifluoromethyl)phenyl]methanol
CID 64986363
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
(1S)-2-(cycloheptylmethylamino)-1-(3,4-difluorophenyl)ethanol
CID 95972210
4-(cyclopropylmethylamino)-3-[4-(trifluoromethyl)phenyl]butan-2-one;ethane
CID 143607227
4-[[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]methyl]cyclohexan-1-ol
CID 106133374
2-(pyridin-4-ylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60899811
2-[(2,2-dimethylcyclopentyl)amino]-1-[4-(trifluoromethyl)phenyl]ethanol
CID 79856738
1-(1,3-benzodioxol-5-yl)-2-(cyclobutylmethylamino)ethanol
CID 60901212
2-(4-methoxybutylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60969600
2-(cyclohexylmethylamino)-1-naphthalen-2-ylethanol
CID 60901818

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol (CID 60901206) is 2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol is OC(CNCC1CCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
The InChIKey is BUGTXWIKLQUMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)12-6-4-11(5-7-12)13(19)9-18-8-10-2-1-3-10/h4-7,10,13,18-19H,1-3,8-9H2.
What are the key properties of 2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol?
2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol has a molecular weight of 273.30 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethylamino)-1-[4-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 60901206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).