1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine

C13H16F3NO — CID 43298477

IUPAC1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESFC(F)(F)Oc1ccc(CNCC2CCC2)cc1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)18-12-6-4-11(5-7-12)9-17-8-10-2-1-3-10/h4-7,10,17H,1-3,8-9H2
InChIKeyZJXCHZKREDKORW-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.47
Rot. Bonds5

About 1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine

1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine (PubChem CID 43298477) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
PubChem CID43298477
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
SMILESFC(F)(F)Oc1ccc(CNCC2CCC2)cc1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)18-12-6-4-11(5-7-12)9-17-8-10-2-1-3-10/h4-7,10,17H,1-3,8-9H2
InChIKeyZJXCHZKREDKORW-UHFFFAOYSA-N
XLogP3.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine 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

1-cyclohex-3-en-1-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60707293
1-(2-methylcyclohexyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 63453620
1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43081448
1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
1-[(2R)-4-methylmorpholin-2-yl]-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 95275069
1-(4-methylcyclohexyl)-N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]methanamine
CID 142230201
N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine
CID 43317309
N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28586305
4-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212787
1-(oxan-3-yl)-N-[[3-(trifluoromethoxy)phenyl]methyl]methanamine
CID 103643870
2,2-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]butan-1-amine
CID 103698439
1-cyclopentyl-3-[4-(trifluoromethoxy)phenyl]propan-2-ol
CID 115787261

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The IUPAC name of 1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine (CID 43298477) is 1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine.
What is the SMILES notation for 1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The canonical SMILES for 1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine is FC(F)(F)Oc1ccc(CNCC2CCC2)cc1.
What is the InChIKey of 1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
The InChIKey is ZJXCHZKREDKORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)18-12-6-4-11(5-7-12)9-17-8-10-2-1-3-10/h4-7,10,17H,1-3,8-9H2.
What are the key properties of 1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine?
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine has a molecular weight of 259.27 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine is sourced from PubChem (CID 43298477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).