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

C18H26F3NO — CID 19823613

IUPAC4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
SMILESCOCCCC(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C18H26F3NO/c1-22(2)16(9-5-12-23-3)17(10-6-11-17)14-7-4-8-15(13-14)18(19,20)21/h4,7-8,13,16H,5-6,9-12H2,1-3H3
InChIKeyBJCGVARJCMZNPK-UHFFFAOYSA-N
MW329.41 g/mol
LogP4.48
Rot. Bonds7

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

4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine (PubChem CID 19823613) has the molecular formula C18H26F3NO and a molecular weight of 329.41 g/mol. Its IUPAC name is 4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
PubChem CID19823613
Molecular FormulaC18H26F3NO
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
SMILESCOCCCC(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C18H26F3NO/c1-22(2)16(9-5-12-23-3)17(10-6-11-17)14-7-4-8-15(13-14)18(19,20)21/h4,7-8,13,16H,5-6,9-12H2,1-3H3
InChIKeyBJCGVARJCMZNPK-UHFFFAOYSA-N
XLogP4.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(4-tert-butylphenyl)methyl]oxetan-3-yl]-N,N-dimethylethanamine
CID 46889795
[4-(2-Phenylethyl)-1-(4,4,4-trifluorobutan-2-yl)piperidin-4-yl]methanol
CID 126460908
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-(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-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-N,N,3-trimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823782
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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The IUPAC name of 4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine (CID 19823613) is 4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine.
What is the SMILES notation for 4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The canonical SMILES for 4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine is COCCCC(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The InChIKey is BJCGVARJCMZNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F3NO/c1-22(2)16(9-5-12-23-3)17(10-6-11-17)14-7-4-8-15(13-14)18(19,20)21/h4,7-8,13,16H,5-6,9-12H2,1-3H3.
What are the key properties of 4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine has a molecular weight of 329.41 g/mol, XLogP of 4.48, 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-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine is sourced from PubChem (CID 19823613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).