N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine

C14H18F3N — CID 64986342

IUPACN-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccccc1C(F)(F)F)C1CCC1
InChIInChI=1S/C14H18F3N/c1-2-18-13(10-6-5-7-10)11-8-3-4-9-12(11)14(15,16)17/h3-4,8-10,13,18H,2,5-7H2,1H3
InChIKeyCLDLJIVAXSLELR-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.16
Rot. Bonds4

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

N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 64986342) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID64986342
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCCNC(c1ccccc1C(F)(F)F)C1CCC1
InChIInChI=1S/C14H18F3N/c1-2-18-13(10-6-5-7-10)11-8-3-4-9-12(11)14(15,16)17/h3-4,8-10,13,18H,2,5-7H2,1H3
InChIKeyCLDLJIVAXSLELR-UHFFFAOYSA-N
XLogP4.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[cyclobutyl-[2-(trifluoromethyl)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

N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 64986702
N-[cyclopentyl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 63413337
N-[3-bicyclo[3.1.0]hexanyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 115853839
N-[(2-tert-butylphenyl)-cyclopentylmethyl]ethanamine
CID 115778732
N-[oxan-4-yl-[2-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 65334774
N-[(2-bromofuran-3-yl)-cyclobutylmethyl]ethanamine
CID 106858770
N-[cyclopentyl(naphthalen-1-yl)methyl]ethanamine
CID 55187374
N-[cyclobutyl-(2,3-dimethylphenyl)methyl]ethanamine
CID 64986462
N-[cyclobutyl(phenyl)methyl]ethanamine
CID 43489136
N-[cyclobutyl-(2,3-dichlorophenyl)methyl]ethanamine
CID 64986692
cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
CID 64986967
N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 114981698

Frequently Asked Questions

What is the IUPAC name of N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 64986342) is N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine is CCNC(c1ccccc1C(F)(F)F)C1CCC1.
What is the InChIKey of N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is CLDLJIVAXSLELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-2-18-13(10-6-5-7-10)11-8-3-4-9-12(11)14(15,16)17/h3-4,8-10,13,18H,2,5-7H2,1H3.
What are the key properties of N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine?
N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 257.30 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclobutyl-[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 64986342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).