3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine

C15H19F4N — CID 107290206

IUPAC3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine
SMILESCNC1CCCCC(c2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H19F4N/c1-20-12-5-3-2-4-10(8-12)11-6-7-14(16)13(9-11)15(17,18)19/h6-7,9-10,12,20H,2-5,8H2,1H3
InChIKeyAQQHTJIHRFWVIS-UHFFFAOYSA-N
MW289.32 g/mol
LogP4.48
Rot. Bonds2

About 3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine

3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine (PubChem CID 107290206) has the molecular formula C15H19F4N and a molecular weight of 289.32 g/mol. Its IUPAC name is 3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine
PubChem CID107290206
Molecular FormulaC15H19F4N
Molecular Weight289.32 g/mol
Exact Mass289.15
IUPAC Name3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine
SMILESCNC1CCCCC(c2ccc(F)c(C(F)(F)F)c2)C1
InChIInChI=1S/C15H19F4N/c1-20-12-5-3-2-4-10(8-12)11-6-7-14(16)13(9-11)15(17,18)19/h6-7,9-10,12,20H,2-5,8H2,1H3
InChIKeyAQQHTJIHRFWVIS-UHFFFAOYSA-N
XLogP4.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine 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 3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine?
The IUPAC name of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine (CID 107290206) is 3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine.
What is the SMILES notation for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine?
The canonical SMILES for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine is CNC1CCCCC(c2ccc(F)c(C(F)(F)F)c2)C1.
What is the InChIKey of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine?
The InChIKey is AQQHTJIHRFWVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F4N/c1-20-12-5-3-2-4-10(8-12)11-6-7-14(16)13(9-11)15(17,18)19/h6-7,9-10,12,20H,2-5,8H2,1H3.
What are the key properties of 3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine?
3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine has a molecular weight of 289.32 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methylcycloheptan-1-amine is sourced from PubChem (CID 107290206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).