3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol

C13H18F3NO — CID 113352552

IUPAC3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol
SMILESCC(O)C(C)(C)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-9(18)12(2,3)17-8-10-6-4-5-7-11(10)13(14,15)16/h4-7,9,17-18H,8H2,1-3H3
InChIKeyISKKLMCWVFWNIG-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.95
Rot. Bonds4

About 3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol

3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol (PubChem CID 113352552) has the molecular formula C13H18F3NO and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol.

Molecular Properties

Compound Name3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol
PubChem CID113352552
Molecular FormulaC13H18F3NO
Molecular Weight261.29 g/mol
Exact Mass261.13
IUPAC Name3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol
SMILESCC(O)C(C)(C)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C13H18F3NO/c1-9(18)12(2,3)17-8-10-6-4-5-7-11(10)13(14,15)16/h4-7,9,17-18H,8H2,1-3H3
InChIKeyISKKLMCWVFWNIG-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-N-[[2-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 150499557
2-sulfanyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 107028778
4,4-dimethyl-5-[[2-(trifluoromethyl)phenyl]methylamino]pentan-2-ol
CID 111468025
2-ethyl-2-[[2-(trifluoromethyl)phenyl]methylamino]propane-1,3-diol
CID 103933703
(2R)-2-[[2-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 51690870
2-amino-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 62879781
3-hydroxy-2-[[2-(trifluoromethyl)phenyl]methylamino]butanoic acid
CID 82364502
1-(2-hydroxypropyl)-3-[[2-(trifluoromethyl)phenyl]methyl]urea
CID 117235456
N-methyl-1-[2-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 14509279
1-[2-(trifluoromethyl)phenyl]butane-2,3-diol
CID 175401448
3-methyl-2-propan-2-yl-N-[[2-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 102904012
1,1,1-trifluoro-3-[[2-(trifluoromethyl)phenyl]methylamino]propan-2-ol
CID 2783073

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol?
The IUPAC name of 3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol (CID 113352552) is 3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol.
What is the SMILES notation for 3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol?
The canonical SMILES for 3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol is CC(O)C(C)(C)NCc1ccccc1C(F)(F)F.
What is the InChIKey of 3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol?
The InChIKey is ISKKLMCWVFWNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO/c1-9(18)12(2,3)17-8-10-6-4-5-7-11(10)13(14,15)16/h4-7,9,17-18H,8H2,1-3H3.
What are the key properties of 3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol?
3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol has a molecular weight of 261.29 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-[[2-(trifluoromethyl)phenyl]methylamino]butan-2-ol is sourced from PubChem (CID 113352552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).