2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol

C14H20F3NO2 — CID 115516886

IUPAC2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol
SMILESCOc1cc(C(C)NCCCCC(F)(F)F)ccc1O
InChIInChI=1S/C14H20F3NO2/c1-10(18-8-4-3-7-14(15,16)17)11-5-6-12(19)13(9-11)20-2/h5-6,9-10,18-19H,3-4,7-8H2,1-2H3
InChIKeyZMFHPBHVTNCZIK-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.78
Rot. Bonds7

About 2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol

2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol (PubChem CID 115516886) has the molecular formula C14H20F3NO2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol
PubChem CID115516886
Molecular FormulaC14H20F3NO2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC Name2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol
SMILESCOc1cc(C(C)NCCCCC(F)(F)F)ccc1O
InChIInChI=1S/C14H20F3NO2/c1-10(18-8-4-3-7-14(15,16)17)11-5-6-12(19)13(9-11)20-2/h5-6,9-10,18-19H,3-4,7-8H2,1-2H3
InChIKeyZMFHPBHVTNCZIK-UHFFFAOYSA-N
XLogP3.78
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol 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

2-methoxy-4-[1-(3-methylbutylamino)ethyl]phenol
CID 43193059
2-methoxy-4-[1-(2-methoxyethylamino)ethyl]phenol
CID 43190162
4-[1-(3-ethoxypropylamino)ethyl]-2-methoxyphenol
CID 43196184
4-[1-(3-ethenoxypropylamino)ethyl]-2-methoxyphenol
CID 43207308
4-[1-(2-ethoxyethylamino)ethyl]-2-methoxyphenol
CID 43590855
2-methoxy-4-[1-(2-phenylethylamino)ethyl]phenol
CID 43194110
4-[1-(2-cyclohexylethylamino)ethyl]-2-methoxyphenol
CID 60919457
2-[1-(4-hydroxy-3-methoxyphenyl)ethylamino]ethyl carbamate
CID 83210959
3-[1-(4,4,4-trifluorobutylamino)ethyl]phenol
CID 113326927
4-[1-(5,5,5-trifluoropentylamino)ethyl]benzene-1,3-diol
CID 115517298
5,5,5-trifluoro-N-[1-(3-methylphenyl)ethyl]pentan-1-amine
CID 115496246
N-[1-(4-fluoro-3-methoxyphenyl)ethyl]pentan-1-amine
CID 82993667

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol?
The IUPAC name of 2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol (CID 115516886) is 2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol.
What is the SMILES notation for 2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol?
The canonical SMILES for 2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol is COc1cc(C(C)NCCCCC(F)(F)F)ccc1O.
What is the InChIKey of 2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol?
The InChIKey is ZMFHPBHVTNCZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO2/c1-10(18-8-4-3-7-14(15,16)17)11-5-6-12(19)13(9-11)20-2/h5-6,9-10,18-19H,3-4,7-8H2,1-2H3.
What are the key properties of 2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol?
2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol has a molecular weight of 291.31 g/mol, XLogP of 3.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[1-(5,5,5-trifluoropentylamino)ethyl]phenol is sourced from PubChem (CID 115516886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).