4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol

C15H22F3NO2 — CID 66002654

IUPAC4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
SMILESCC(C)(C)NCCC(C)(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-13(2,3)19-10-9-14(4,20)11-7-5-6-8-12(11)21-15(16,17)18/h5-8,19-20H,9-10H2,1-4H3
InChIKeyKYUKSWQEDHVSPA-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.57
Rot. Bonds5

About 4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol

4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol (PubChem CID 66002654) has the molecular formula C15H22F3NO2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol.

Molecular Properties

Compound Name4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
PubChem CID66002654
Molecular FormulaC15H22F3NO2
Molecular Weight305.34 g/mol
Exact Mass305.16
IUPAC Name4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
SMILESCC(C)(C)NCCC(C)(O)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H22F3NO2/c1-13(2,3)19-10-9-14(4,20)11-7-5-6-8-12(11)21-15(16,17)18/h5-8,19-20H,9-10H2,1-4H3
InChIKeyKYUKSWQEDHVSPA-UHFFFAOYSA-N
XLogP3.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(trifluoromethoxy)phenyl]heptan-2-ol
CID 80557865
4-[2-(trifluoromethoxy)phenyl]heptan-4-ol
CID 114866167
3,3-dimethyl-2-[2-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302790
4-(tert-butylamino)-2-(2,4-difluorophenyl)butan-2-ol
CID 66001269
1-(2-methylphenyl)-1-[2-(trifluoromethoxy)phenyl]ethanol
CID 62787433
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
2-(2-ethoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66003668
2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002279
4-(ethylamino)-2-(2-fluoro-3-methoxyphenyl)butan-2-ol
CID 82811754
1-(tert-butylamino)-3-(2-tert-butylphenoxy)propan-2-ol;hydrochloride
CID 2873516
4-(tert-butylamino)-2-(4-methoxyphenyl)butan-2-ol
CID 66002453
2-(2-ethoxyphenyl)-4-methoxybutan-2-ol
CID 62802549

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol?
The IUPAC name of 4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol (CID 66002654) is 4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol.
What is the SMILES notation for 4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol?
The canonical SMILES for 4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol is CC(C)(C)NCCC(C)(O)c1ccccc1OC(F)(F)F.
What is the InChIKey of 4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol?
The InChIKey is KYUKSWQEDHVSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3NO2/c1-13(2,3)19-10-9-14(4,20)11-7-5-6-8-12(11)21-15(16,17)18/h5-8,19-20H,9-10H2,1-4H3.
What are the key properties of 4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol?
4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol has a molecular weight of 305.34 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-[2-(trifluoromethoxy)phenyl]butan-2-ol is sourced from PubChem (CID 66002654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).