4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine

C19H28F3NO — CID 19823782

IUPAC4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
SMILESCOCC(C)CC(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C19H28F3NO/c1-14(13-24-4)11-17(23(2)3)18(9-6-10-18)15-7-5-8-16(12-15)19(20,21)22/h5,7-8,12,14,17H,6,9-11,13H2,1-4H3
InChIKeyBPDJZKYJHDUTPJ-UHFFFAOYSA-N
MW343.43 g/mol
LogP4.73
Rot. Bonds7

About 4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine

4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine (PubChem CID 19823782) has the molecular formula C19H28F3NO and a molecular weight of 343.43 g/mol. Its IUPAC name is 4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
PubChem CID19823782
Molecular FormulaC19H28F3NO
Molecular Weight343.43 g/mol
Exact Mass343.21
IUPAC Name4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
SMILESCOCC(C)CC(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C19H28F3NO/c1-14(13-24-4)11-17(23(2)3)18(9-6-10-18)15-7-5-8-16(12-15)19(20,21)22/h5,7-8,12,14,17H,6,9-11,13H2,1-4H3
InChIKeyBPDJZKYJHDUTPJ-UHFFFAOYSA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]ethanamine
CID 53790454
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
1-(Dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentan-2-ol
CID 19823645
4-Propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823700
1-(Dimethylamino)-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
CID 19823734
1-[1-(2-fluorophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine
CID 19823776
4-Methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823789
N,N-dimethyl-4-propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823794
N,N-dimethyl-4-propan-2-yloxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823885
4-Propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 53643455
4-Methoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 53976304

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The IUPAC name of 4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine (CID 19823782) is 4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine.
What is the SMILES notation for 4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The canonical SMILES for 4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine is COCC(C)CC(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The InChIKey is BPDJZKYJHDUTPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F3NO/c1-14(13-24-4)11-17(23(2)3)18(9-6-10-18)15-7-5-8-16(12-15)19(20,21)22/h5,7-8,12,14,17H,6,9-11,13H2,1-4H3.
What are the key properties of 4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine has a molecular weight of 343.43 g/mol, XLogP of 4.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine is sourced from PubChem (CID 19823782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).