1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine

C14H18F3NO — CID 115708068

IUPAC1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCC(NCc1ccccc1OC(F)(F)F)C1CCC1
InChIInChI=1S/C14H18F3NO/c1-10(11-6-4-7-11)18-9-12-5-2-3-8-13(12)19-14(15,16)17/h2-3,5,8,10-11,18H,4,6-7,9H2,1H3
InChIKeyHSWHTSWLWPWPHB-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.86
Rot. Bonds5

About 1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine

1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 115708068) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID115708068
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESCC(NCc1ccccc1OC(F)(F)F)C1CCC1
InChIInChI=1S/C14H18F3NO/c1-10(11-6-4-7-11)18-9-12-5-2-3-8-13(12)19-14(15,16)17/h2-3,5,8,10-11,18H,4,6-7,9H2,1H3
InChIKeyHSWHTSWLWPWPHB-UHFFFAOYSA-N
XLogP3.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592606
N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60702927
(1R)-1-cyclopentyl-N-[(2-fluorophenyl)methyl]ethanamine
CID 81394013
3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclohexan-1-amine
CID 43216462
2-[[[(1S)-1-cyclopentylethyl]amino]methyl]phenol
CID 81386738
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]butan-1-ol
CID 79254130
1-N,1-N-dimethyl-2-N-[[2-(trifluoromethoxy)phenyl]methyl]propane-1,2-diamine
CID 82945948
(1R)-1-cyclopentyl-N-[[2-(methoxymethyl)phenyl]methyl]ethanamine
CID 81395717
N-[(2-bromophenyl)methyl]-1-cyclopentylethanamine
CID 62632119
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
2,2-dimethyl-N-[[2-(trifluoromethoxy)phenyl]methyl]cyclopropan-1-amine
CID 61221925
(1S)-1-cycloheptyl-N-[(2,3-dimethoxyphenyl)methyl]ethanamine
CID 81391569

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 115708068) is 1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine is CC(NCc1ccccc1OC(F)(F)F)C1CCC1.
What is the InChIKey of 1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is HSWHTSWLWPWPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c1-10(11-6-4-7-11)18-9-12-5-2-3-8-13(12)19-14(15,16)17/h2-3,5,8,10-11,18H,4,6-7,9H2,1H3.
What are the key properties of 1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine?
1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 273.30 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[[2-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 115708068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).