3-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]oxypropan-1-ol

C11H20F3NO2 — CID 103377271

IUPAC3-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]oxypropan-1-ol
SMILESNCC1(OCCCO)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-2-4-10(8-15,5-3-9)17-7-1-6-16/h9,16H,1-8,15H2
InChIKeyXQMAAERKNPMBET-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.84
Rot. Bonds5

About 3-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]oxypropan-1-ol

3-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]oxypropan-1-ol (PubChem CID 103377271) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]oxypropan-1-ol
PubChem CID103377271
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name3-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]oxypropan-1-ol
SMILESNCC1(OCCCO)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9-2-4-10(8-15,5-3-9)17-7-1-6-16/h9,16H,1-8,15H2
InChIKeyXQMAAERKNPMBET-UHFFFAOYSA-N
XLogP1.84
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]oxypropan-1-ol 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-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]oxypropan-1-ol?
The IUPAC name of 3-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]oxypropan-1-ol (CID 103377271) is 3-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]oxypropan-1-ol.
What is the SMILES notation for 3-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]oxypropan-1-ol?
The canonical SMILES for 3-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]oxypropan-1-ol is NCC1(OCCCO)CCC(C(F)(F)F)CC1.
What is the InChIKey of 3-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]oxypropan-1-ol?
The InChIKey is XQMAAERKNPMBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)9-2-4-10(8-15,5-3-9)17-7-1-6-16/h9,16H,1-8,15H2.
What are the key properties of 3-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]oxypropan-1-ol?
3-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]oxypropan-1-ol has a molecular weight of 255.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(aminomethyl)-4-(trifluoromethyl)cyclohexyl]oxypropan-1-ol is sourced from PubChem (CID 103377271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).