2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol

C17H18F3NO2 — CID 168972893

IUPAC2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
SMILESCOc1cc(C(F)(F)F)ccc1CCNCc1ccccc1O
InChIInChI=1S/C17H18F3NO2/c1-23-16-10-14(17(18,19)20)7-6-12(16)8-9-21-11-13-4-2-3-5-15(13)22/h2-7,10,21-22H,8-9,11H2,1H3
InChIKeyWRUXIECVFFQVRD-UHFFFAOYSA-N
MW325.33 g/mol
LogP3.75
Rot. Bonds6

About 2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol

2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol (PubChem CID 168972893) has the molecular formula C17H18F3NO2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol.

Molecular Properties

Compound Name2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
PubChem CID168972893
Molecular FormulaC17H18F3NO2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol
SMILESCOc1cc(C(F)(F)F)ccc1CCNCc1ccccc1O
InChIInChI=1S/C17H18F3NO2/c1-23-16-10-14(17(18,19)20)7-6-12(16)8-9-21-11-13-4-2-3-5-15(13)22/h2-7,10,21-22H,8-9,11H2,1H3
InChIKeyWRUXIECVFFQVRD-UHFFFAOYSA-N
XLogP3.75
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]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-[3-[(2-hydroxyphenyl)methylamino]propyl]-5-(trifluoromethyl)phenol
CID 168972902
2-[[2-(4-iodo-2,5-dimethoxyphenyl)ethylamino]methyl]phenol
CID 10001761
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 2162695
2-(2-methoxyphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine;oxalic acid
CID 17367557
ethane;2-methoxy-4-[3-[[2-methoxy-4-(trifluoromethyl)phenyl]methylamino]butyl]phenol
CID 144539777
2-(ethylaminomethyl)-5-(trifluoromethyl)phenol
CID 82549994
2-[2,5-dimethoxy-4-(trifluoromethyl)phenyl]-N-(naphthalen-1-ylmethyl)ethanamine
CID 166130267
2-[[(2,4-dimethoxyphenyl)methylamino]methyl]phenol
CID 62732592
2-[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethyl]propane-1,3-diol
CID 83921421
5-[2-methoxy-4-(trifluoromethyl)phenyl]pentan-2-one
CID 83921366
4-[2-methoxy-4-(trifluoromethyl)phenyl]butanethioamide
CID 83921419
3-[2-(2-methoxyphenyl)ethylamino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 109025439

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol?
The IUPAC name of 2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol (CID 168972893) is 2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol.
What is the SMILES notation for 2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol?
The canonical SMILES for 2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol is COc1cc(C(F)(F)F)ccc1CCNCc1ccccc1O.
What is the InChIKey of 2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol?
The InChIKey is WRUXIECVFFQVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3NO2/c1-23-16-10-14(17(18,19)20)7-6-12(16)8-9-21-11-13-4-2-3-5-15(13)22/h2-7,10,21-22H,8-9,11H2,1H3.
What are the key properties of 2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol?
2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol has a molecular weight of 325.33 g/mol, XLogP of 3.75, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-methoxy-4-(trifluoromethyl)phenyl]ethylamino]methyl]phenol is sourced from PubChem (CID 168972893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).