4-methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine

C17H24F3NO — CID 19823789

IUPAC4-methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
SMILESCOCC(C)CC(N)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C17H24F3NO/c1-12(11-22-2)9-15(21)16(7-4-8-16)13-5-3-6-14(10-13)17(18,19)20/h3,5-6,10,12,15H,4,7-9,11,21H2,1-2H3
InChIKeyDOSJHLQBNJOMAA-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.13
Rot. Bonds6

About 4-methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine

4-methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine (PubChem CID 19823789) has the molecular formula C17H24F3NO and a molecular weight of 315.38 g/mol. Its IUPAC name is 4-methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine.

Molecular Properties

Compound Name4-methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
PubChem CID19823789
Molecular FormulaC17H24F3NO
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name4-methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
SMILESCOCC(C)CC(N)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C17H24F3NO/c1-12(11-22-2)9-15(21)16(7-4-8-16)13-5-3-6-14(10-13)17(18,19)20/h3,5-6,10,12,15H,4,7-9,11,21H2,1-2H3
InChIKeyDOSJHLQBNJOMAA-UHFFFAOYSA-N
XLogP4.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-{2,2-dimethyl-4-[3-(trifluoromethyl)phenyl]tetrahydro-2H-pyran-4-yl}ethanamine
CID 2772142
{4-[3-(Trifluoromethyl)phenyl]oxan-4-yl}methanamine
CID 43119072
(Oxan-4-yl)[3-(trifluoromethyl)phenyl]methanamine hydrochloride
CID 112756555
4-Methoxy-4-methyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 103025035
1-[2-Fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine
CID 103031419
1-[2-Fluoro-5-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine
CID 103031529
1-(2,6-Difluoro-3-methylphenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031625
1-[4-Fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-4-methylpentan-1-amine
CID 103031859
5-Methoxy-5-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
CID 103035753
1-[1-[3-(Trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 13083256
4-methoxy-N,N-dimethyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine
CID 19823613
4-Amino-2-methyl-4-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-2-ol
CID 19823677

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The IUPAC name of 4-methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine (CID 19823789) is 4-methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine.
What is the SMILES notation for 4-methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The canonical SMILES for 4-methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine is COCC(C)CC(N)C1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of 4-methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
The InChIKey is DOSJHLQBNJOMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3NO/c1-12(11-22-2)9-15(21)16(7-4-8-16)13-5-3-6-14(10-13)17(18,19)20/h3,5-6,10,12,15H,4,7-9,11,21H2,1-2H3.
What are the key properties of 4-methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine?
4-methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine has a molecular weight of 315.38 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-methyl-1-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butan-1-amine is sourced from PubChem (CID 19823789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).