2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine

C14H18F3NO — CID 107104561

IUPAC2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESFC(F)(F)Oc1cccc(CNCCC2CCC2)c1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)19-13-6-2-5-12(9-13)10-18-8-7-11-3-1-4-11/h2,5-6,9,11,18H,1,3-4,7-8,10H2
InChIKeyCDGWSYUYCBIABO-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.87
Rot. Bonds6

About 2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine

2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine (PubChem CID 107104561) has the molecular formula C14H18F3NO and a molecular weight of 273.30 g/mol. Its IUPAC name is 2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
PubChem CID107104561
Molecular FormulaC14H18F3NO
Molecular Weight273.30 g/mol
Exact Mass273.13
IUPAC Name2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
SMILESFC(F)(F)Oc1cccc(CNCCC2CCC2)c1
InChIInChI=1S/C14H18F3NO/c15-14(16,17)19-13-6-2-5-12(9-13)10-18-8-7-11-3-1-4-11/h2,5-6,9,11,18H,1,3-4,7-8,10H2
InChIKeyCDGWSYUYCBIABO-UHFFFAOYSA-N
XLogP3.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine 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

4-[[[3-(trifluoromethoxy)phenyl]methylamino]methyl]cyclohexan-1-ol
CID 106127419
1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 103643870
N-[[3-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 83304199
2-[[3-(trifluoromethoxy)phenyl]methylamino]ethanesulfonamide
CID 107104428
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
N',N'-dimethyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethane-1,2-diamine
CID 83325765
2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]propan-2-amine
CID 103700140
5-[[3-(trifluoromethoxy)phenyl]methylamino]pentan-1-ol
CID 107302851
2-ethoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103643861
2-cyclopentyl-N-[[3-(difluoromethyl)phenyl]methyl]ethanamine
CID 113328709
2-(2,2-difluoroethoxy)-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 103081182
3-[(2-cyclohexylethylamino)methyl]phenol
CID 60752412

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The IUPAC name of 2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine (CID 107104561) is 2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The canonical SMILES for 2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine is FC(F)(F)Oc1cccc(CNCCC2CCC2)c1.
What is the InChIKey of 2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
The InChIKey is CDGWSYUYCBIABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO/c15-14(16,17)19-13-6-2-5-12(9-13)10-18-8-7-11-3-1-4-11/h2,5-6,9,11,18H,1,3-4,7-8,10H2.
What are the key properties of 2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine?
2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine has a molecular weight of 273.30 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-[[3-(trifluoromethoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 107104561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).