4-amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol

C16H22F3NO — CID 19823677

IUPAC4-amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
SMILESCC(C)(O)CC(N)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C16H22F3NO/c1-14(2,21)10-13(20)15(7-4-8-15)11-5-3-6-12(9-11)16(17,18)19/h3,5-6,9,13,21H,4,7-8,10,20H2,1-2H3
InChIKeyCMIHTNCYVPDCBH-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.62
Rot. Bonds4

About 4-amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol

4-amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol (PubChem CID 19823677) has the molecular formula C16H22F3NO and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol.

Molecular Properties

Compound Name4-amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
PubChem CID19823677
Molecular FormulaC16H22F3NO
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name4-amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
SMILESCC(C)(O)CC(N)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C16H22F3NO/c1-14(2,21)10-13(20)15(7-4-8-15)11-5-3-6-12(9-11)16(17,18)19/h3,5-6,9,13,21H,4,7-8,10,20H2,1-2H3
InChIKeyCMIHTNCYVPDCBH-UHFFFAOYSA-N
XLogP3.62
TPSA46.25 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 ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Aminomethyl)-3-phenyl-1-(trifluoromethyl)cyclobutan-1-ol hydrochloride
CID 132344007
(E)-4-amino-1,1,1-trifluoro-2-(3-(2-(2,6,6-trimethylcyclohex-1-enyl)vinyl)phenyl)butan-2-ol
CID 57766577
2-(Aminomethyl)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-methylpentan-2-ol
CID 17935623
4-(Dimethylamino)-4-[1-(4-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
CID 19823646
1-(Dimethylamino)-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
CID 19823654
4-Amino-4-[1-(3-fluorophenyl)cyclobutyl]-2-methylbutan-2-ol
CID 19823671
1-Amino-1-[1-(4-fluorophenyl)cyclobutyl]-5-methoxy-3-methylpentan-3-ol
CID 19823675
4-Amino-4-[1-(4-fluorophenyl)cyclobutyl]-1-methoxy-2-methylbutan-2-ol
CID 19823682
1-Amino-3-ethyl-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
CID 19823685
4-Propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823700
1-Amino-3-(ethoxymethyl)-1-[1-(4-fluorophenyl)cyclobutyl]pentan-3-ol
CID 19823725
4-Amino-4-[1-(4-chlorophenyl)cyclobutyl]-1,1,1-trifluoro-2-methylbutan-2-ol
CID 19823766

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol?
The IUPAC name of 4-amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol (CID 19823677) is 4-amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol.
What is the SMILES notation for 4-amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol?
The canonical SMILES for 4-amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol is CC(C)(O)CC(N)C1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 4-amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol?
The InChIKey is CMIHTNCYVPDCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO/c1-14(2,21)10-13(20)15(7-4-8-15)11-5-3-6-12(9-11)16(17,18)19/h3,5-6,9,13,21H,4,7-8,10,20H2,1-2H3.
What are the key properties of 4-amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol?
4-amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol has a molecular weight of 301.35 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol is sourced from PubChem (CID 19823677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).