5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine

C20H17F3N2O2 — CID 58289339

IUPAC5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine
SMILESNc1cc(N)cc(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)27-19-7-3-15(4-8-19)14-1-5-18(6-2-14)26-12-13-9-16(24)11-17(25)10-13/h1-11H,12,24-25H2
InChIKeyHHQWSBPOUKHMLH-UHFFFAOYSA-N
MW374.36 g/mol
LogP5.00
Rot. Bonds5

About 5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine

5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine (PubChem CID 58289339) has the molecular formula C20H17F3N2O2 and a molecular weight of 374.36 g/mol. Its IUPAC name is 5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine.

Molecular Properties

Compound Name5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine
PubChem CID58289339
Molecular FormulaC20H17F3N2O2
Molecular Weight374.36 g/mol
Exact Mass374.12
IUPAC Name5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine
SMILESNc1cc(N)cc(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c1
InChIInChI=1S/C20H17F3N2O2/c21-20(22,23)27-19-7-3-15(4-8-19)14-1-5-18(6-2-14)26-12-13-9-16(24)11-17(25)10-13/h1-11H,12,24-25H2
InChIKeyHHQWSBPOUKHMLH-UHFFFAOYSA-N
XLogP5.00
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine 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-bromo-5-[[4-(trifluoromethoxy)phenoxy]methyl]aniline
CID 103350409
2-phenylmethoxy-4-[4-(trifluoromethoxy)phenyl]aniline
CID 171921767
1-ethyl-4-[[4-(trifluoromethoxy)phenyl]methoxy]benzene
CID 64765106
[4-[[4-(trifluoromethoxy)phenoxy]methyl]phenyl]methanol
CID 115969593
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-methyl-4-[[3-(trifluoromethoxy)phenyl]methoxy]benzene
CID 143173489
2-chloro-4-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine
CID 115696982
5-[(3,4-dichlorophenoxy)methyl]benzene-1,3-diamine
CID 18763424
3-[[4-(trifluoromethoxy)phenoxy]methyl]benzaldehyde
CID 91655985
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
2-amino-4-[4-(trifluoromethoxy)phenyl]phenol
CID 162558400
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine?
The IUPAC name of 5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine (CID 58289339) is 5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine.
What is the SMILES notation for 5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine?
The canonical SMILES for 5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine is Nc1cc(N)cc(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)c1.
What is the InChIKey of 5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine?
The InChIKey is HHQWSBPOUKHMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O2/c21-20(22,23)27-19-7-3-15(4-8-19)14-1-5-18(6-2-14)26-12-13-9-16(24)11-17(25)10-13/h1-11H,12,24-25H2.
What are the key properties of 5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine?
5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine has a molecular weight of 374.36 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[4-(trifluoromethoxy)phenyl]phenoxy]methyl]benzene-1,3-diamine is sourced from PubChem (CID 58289339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).