N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine

C17H24F3N — CID 81028151

IUPACN-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H24F3N/c1-2-21-12-14-6-4-3-5-7-16(14)13-8-10-15(11-9-13)17(18,19)20/h8-11,14,16,21H,2-7,12H2,1H3
InChIKeyIEYMRVVKFDSPCT-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.98
Rot. Bonds4

About N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine

N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine (PubChem CID 81028151) has the molecular formula C17H24F3N and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
PubChem CID81028151
Molecular FormulaC17H24F3N
Molecular Weight299.38 g/mol
Exact Mass299.19
IUPAC NameN-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine
SMILESCCNCC1CCCCCC1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H24F3N/c1-2-21-12-14-6-4-3-5-7-16(14)13-8-10-15(11-9-13)17(18,19)20/h8-11,14,16,21H,2-7,12H2,1H3
InChIKeyIEYMRVVKFDSPCT-UHFFFAOYSA-N
XLogP4.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]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

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine?
The IUPAC name of N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine (CID 81028151) is N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine?
The canonical SMILES for N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine is CCNCC1CCCCCC1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine?
The InChIKey is IEYMRVVKFDSPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F3N/c1-2-21-12-14-6-4-3-5-7-16(14)13-8-10-15(11-9-13)17(18,19)20/h8-11,14,16,21H,2-7,12H2,1H3.
What are the key properties of N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine?
N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine has a molecular weight of 299.38 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(trifluoromethyl)phenyl]cycloheptyl]methyl]ethanamine is sourced from PubChem (CID 81028151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).