4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine

C10H18F3NO2 — CID 163294943

IUPAC4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCOC1(C(F)(F)F)CCC(N)CC1
InChIInChI=1S/C10H18F3NO2/c1-15-6-7-16-9(10(11,12)13)4-2-8(14)3-5-9/h8H,2-7,14H2,1H3
InChIKeyUAFROKBSYVKFDX-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.85
Rot. Bonds4

About 4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine

4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 163294943) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID163294943
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCOC1(C(F)(F)F)CCC(N)CC1
InChIInChI=1S/C10H18F3NO2/c1-15-6-7-16-9(10(11,12)13)4-2-8(14)3-5-9/h8H,2-7,14H2,1H3
InChIKeyUAFROKBSYVKFDX-UHFFFAOYSA-N
XLogP1.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-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 4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine (CID 163294943) is 4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine is COCCOC1(C(F)(F)F)CCC(N)CC1.
What is the InChIKey of 4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is UAFROKBSYVKFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-15-6-7-16-9(10(11,12)13)4-2-8(14)3-5-9/h8H,2-7,14H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine?
4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 241.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 163294943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).