1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol

C18H26F3NO — CID 19823645

IUPAC1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol
SMILESCCCC(O)C(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C18H26F3NO/c1-4-7-15(23)16(22(2)3)17(10-6-11-17)13-8-5-9-14(12-13)18(19,20)21/h5,8-9,12,15-16,23H,4,6-7,10-11H2,1-3H3
InChIKeyGYURKHCDJGJNGX-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.22
Rot. Bonds6

About 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol

1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol (PubChem CID 19823645) has the molecular formula C18H26F3NO and a molecular weight of 329.41 g/mol. Its IUPAC name is 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol
PubChem CID19823645
Molecular FormulaC18H26F3NO
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol
SMILESCCCC(O)C(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C18H26F3NO/c1-4-7-15(23)16(22(2)3)17(10-6-11-17)13-8-5-9-14(12-13)18(19,20)21/h5,8-9,12,15-16,23H,4,6-7,10-11H2,1-3H3
InChIKeyGYURKHCDJGJNGX-UHFFFAOYSA-N
XLogP4.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol;hydrochloride
CID 12549088
2-[(Dimethylamino)methyl]-2-[4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 68673933
Piperazine derivative, 16
CID 71463402
(1S,2R)-2-[methyl-[2-[3-(trifluoromethyl)phenyl]ethyl]amino]-1-phenylpropan-1-ol
CID 134850408
3-(Dimethylamino)-1-phenyl-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 12549087
4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823613
1-(Dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol;hydrochloride
CID 19823644
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
1-(Dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
CID 19823734
4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823782
N,N-dimethyl-4-propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823794

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol?
The IUPAC name of 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol (CID 19823645) is 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol?
The canonical SMILES for 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol is CCCC(O)C(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol?
The InChIKey is GYURKHCDJGJNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO/c1-4-7-15(23)16(22(2)3)17(10-6-11-17)13-8-5-9-14(12-13)18(19,20)21/h5,8-9,12,15-16,23H,4,6-7,10-11H2,1-3H3.
What are the key properties of 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol?
1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol has a molecular weight of 329.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol is sourced from PubChem (CID 19823645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).