N-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]ethanamine

C10H16F3NO — CID 162603261

IUPACN-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]ethanamine
SMILESCNCCC1CC=C(OC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO/c1-14-7-6-8-2-4-9(5-3-8)15-10(11,12)13/h4,8,14H,2-3,5-7H2,1H3
InChIKeyXNMBTHDAUWUTRK-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.82
Rot. Bonds4

About N-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]ethanamine

N-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]ethanamine (PubChem CID 162603261) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is N-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]ethanamine
PubChem CID162603261
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC NameN-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]ethanamine
SMILESCNCCC1CC=C(OC(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO/c1-14-7-6-8-2-4-9(5-3-8)15-10(11,12)13/h4,8,14H,2-3,5-7H2,1H3
InChIKeyXNMBTHDAUWUTRK-UHFFFAOYSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]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-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]ethanamine?
The IUPAC name of N-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]ethanamine (CID 162603261) is N-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]ethanamine?
The canonical SMILES for N-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]ethanamine is CNCCC1CC=C(OC(F)(F)F)CC1.
What is the InChIKey of N-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]ethanamine?
The InChIKey is XNMBTHDAUWUTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-14-7-6-8-2-4-9(5-3-8)15-10(11,12)13/h4,8,14H,2-3,5-7H2,1H3.
What are the key properties of N-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]ethanamine?
N-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]ethanamine has a molecular weight of 223.24 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-(trifluoromethoxy)cyclohex-3-en-1-yl]ethanamine is sourced from PubChem (CID 162603261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).