4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol

C13H16F3NO2 — CID 106210945

IUPAC4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol
SMILESCOc1ccc(O)c(C(C)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C13H16F3NO2/c1-8(17-12(5-6-12)13(14,15)16)10-7-9(19-2)3-4-11(10)18/h3-4,7-8,17-18H,5-6H2,1-2H3
InChIKeyLOVDQYCLSIGEFY-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.15
Rot. Bonds4

About 4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol

4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol (PubChem CID 106210945) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is 4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol
PubChem CID106210945
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol
SMILESCOc1ccc(O)c(C(C)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C13H16F3NO2/c1-8(17-12(5-6-12)13(14,15)16)10-7-9(19-2)3-4-11(10)18/h3-4,7-8,17-18H,5-6H2,1-2H3
InChIKeyLOVDQYCLSIGEFY-UHFFFAOYSA-N
XLogP3.15
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]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-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]benzene-1,4-diol
CID 106210611
4-fluoro-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol
CID 114158645
2-[1-(hydroxyamino)ethyl]-4-methoxyphenol
CID 82685754
4-methoxy-2-[1-(2,2,2-trifluoroethoxyamino)ethyl]phenol
CID 82712637
2-[1-[(1-hydroxycyclopentyl)methylamino]ethyl]-4-methoxyphenol
CID 65107155
4-methoxy-2-[1-[2-(2,2,2-trifluoroethoxy)ethylamino]ethyl]phenol
CID 63827299
(2-hydroxy-5-methoxyphenyl)methanediol
CID 69473075
2-[1-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethyl]-4-methoxyphenol
CID 81351233
2-[1-(2,6-dibromoanilino)ethyl]-4-methoxyphenol
CID 107597660
2-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]ethyl]-4-methoxyphenol
CID 103965826
2-[1-[(1-hydroxy-4-methylcyclohexyl)methylamino]ethyl]-4-methoxyphenol
CID 65115330
4-methoxy-2-[1-(prop-2-ynylamino)ethyl]phenol
CID 43189507

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol?
The IUPAC name of 4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol (CID 106210945) is 4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol.
What is the SMILES notation for 4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol?
The canonical SMILES for 4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol is COc1ccc(O)c(C(C)NC2(C(F)(F)F)CC2)c1.
What is the InChIKey of 4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol?
The InChIKey is LOVDQYCLSIGEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-8(17-12(5-6-12)13(14,15)16)10-7-9(19-2)3-4-11(10)18/h3-4,7-8,17-18H,5-6H2,1-2H3.
What are the key properties of 4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol?
4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol has a molecular weight of 275.27 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[1-[[1-(trifluoromethyl)cyclopropyl]amino]ethyl]phenol is sourced from PubChem (CID 106210945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).