4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol

C9H18F3NO2 — CID 107470448

IUPAC4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
SMILESCC(C)C(CCO)NCCOC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-7(2)8(3-5-14)13-4-6-15-9(10,11)12/h7-8,13-14H,3-6H2,1-2H3
InChIKeyBDLZPVDCSVFZSG-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.52
Rot. Bonds7

About 4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol

4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol (PubChem CID 107470448) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
PubChem CID107470448
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC Name4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
SMILESCC(C)C(CCO)NCCOC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-7(2)8(3-5-14)13-4-6-15-9(10,11)12/h7-8,13-14H,3-6H2,1-2H3
InChIKeyBDLZPVDCSVFZSG-UHFFFAOYSA-N
XLogP1.52
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-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

Related Compounds

3-(2-methoxyethylamino)-4-methylpentan-1-ol
CID 104696168
4,4-dimethyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
CID 107470442
4-methyl-3-(3-methylbutylamino)pentan-1-ol
CID 104696133
3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol
CID 106348698
3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol
CID 115705201
4-methyl-3-(2-phenoxyethylamino)pentan-1-ol
CID 104696106
4-methyl-3-(nonylamino)pentan-1-ol
CID 106349451
3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid
CID 106349414
3-(but-3-ynylamino)-4-methylpentan-1-ol
CID 104892114
methyl 4-[(1-hydroxy-4-methylpentan-3-yl)amino]butanoate
CID 104891908
1-(5-fluoropyrimidin-2-yl)-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 163383452
(1R)-1-pyridin-2-yl-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 81407500

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol (CID 107470448) is 4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol is CC(C)C(CCO)NCCOC(F)(F)F.
What is the InChIKey of 4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol?
The InChIKey is BDLZPVDCSVFZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-7(2)8(3-5-14)13-4-6-15-9(10,11)12/h7-8,13-14H,3-6H2,1-2H3.
What are the key properties of 4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol?
4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol has a molecular weight of 229.24 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol is sourced from PubChem (CID 107470448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).