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

C20H30F3NO — CID 19823794

IUPACN,N-dimethyl-4-propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
SMILESCCCOCCCC(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C20H30F3NO/c1-4-13-25-14-6-10-18(24(2)3)19(11-7-12-19)16-8-5-9-17(15-16)20(21,22)23/h5,8-9,15,18H,4,6-7,10-14H2,1-3H3
InChIKeyBTJNFUQPOPGSTO-UHFFFAOYSA-N
MW357.46 g/mol
LogP5.26
Rot. Bonds9

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

N,N-dimethyl-4-propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine (PubChem CID 19823794) has the molecular formula C20H30F3NO and a molecular weight of 357.46 g/mol. Its IUPAC name is N,N-dimethyl-4-propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
PubChem CID19823794
Molecular FormulaC20H30F3NO
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC NameN,N-dimethyl-4-propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
SMILESCCCOCCCC(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C20H30F3NO/c1-4-13-25-14-6-10-18(24(2)3)19(11-7-12-19)16-8-5-9-17(15-16)20(21,22)23/h5,8-9,15,18H,4,6-7,10-14H2,1-3H3
InChIKeyBTJNFUQPOPGSTO-UHFFFAOYSA-N
XLogP5.26
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-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-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 N,N-dimethyl-4-propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The IUPAC name of N,N-dimethyl-4-propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine (CID 19823794) is N,N-dimethyl-4-propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine.
What is the SMILES notation for N,N-dimethyl-4-propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The canonical SMILES for N,N-dimethyl-4-propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine is CCCOCCCC(N(C)C)C1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of N,N-dimethyl-4-propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The InChIKey is BTJNFUQPOPGSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3NO/c1-4-13-25-14-6-10-18(24(2)3)19(11-7-12-19)16-8-5-9-17(15-16)20(21,22)23/h5,8-9,15,18H,4,6-7,10-14H2,1-3H3.
What are the key properties of N,N-dimethyl-4-propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
N,N-dimethyl-4-propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine has a molecular weight of 357.46 g/mol, XLogP of 5.26, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-propoxy-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine is sourced from PubChem (CID 19823794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).