2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine

C22H21F2NO2 — CID 134127167

IUPAC2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCc2ccc(F)cc2)c(OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H21F2NO2/c23-19-6-1-17(2-7-19)14-26-21-10-5-16(11-12-25)13-22(21)27-15-18-3-8-20(24)9-4-18/h1-10,13H,11-12,14-15,25H2
InChIKeyYGLGTTVHUQIFPR-UHFFFAOYSA-N
MW369.41 g/mol
LogP4.62
Rot. Bonds8

About 2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine

2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine (PubChem CID 134127167) has the molecular formula C22H21F2NO2 and a molecular weight of 369.41 g/mol. Its IUPAC name is 2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine
PubChem CID134127167
Molecular FormulaC22H21F2NO2
Molecular Weight369.41 g/mol
Exact Mass369.15
IUPAC Name2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine
SMILESNCCc1ccc(OCc2ccc(F)cc2)c(OCc2ccc(F)cc2)c1
InChIInChI=1S/C22H21F2NO2/c23-19-6-1-17(2-7-19)14-26-21-10-5-16(11-12-25)13-22(21)27-15-18-3-8-20(24)9-4-18/h1-10,13H,11-12,14-15,25H2
InChIKeyYGLGTTVHUQIFPR-UHFFFAOYSA-N
XLogP4.62
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine 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-[4-(2-aminoethyl)-2-[2-(4-fluorophenyl)-2-oxoethoxy]phenoxy]-1-(4-fluorophenyl)ethanone
CID 134127172
[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methanamine
CID 16774045
2-[2-[(4-fluorophenyl)methoxy]-5-methylphenyl]ethanamine
CID 63326109
2-[4-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986660
2-[4-[(4-fluoro-2-methylphenyl)methoxy]-3-methoxyphenyl]ethanamine
CID 114348469
4-[3,4-bis[(4-methylphenyl)methoxy]phenyl]butan-1-amine;4-[4-[(2-fluoro-4-methylphenyl)methoxy]phenyl]butan-1-amine;4-[4-[(4-fluorophenyl)methoxy]-3-[(4-methylphenyl)methoxy]phenyl]butan-1-amine
CID 160724233
2-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102619496
2-[4-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692866
4-(bromomethyl)-2-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 107691588
2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107885526
2-[(4-fluorophenyl)methoxy]phenol
CID 43143460
2-[3-chloro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]ethanamine
CID 114348483

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine (CID 134127167) is 2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine is NCCc1ccc(OCc2ccc(F)cc2)c(OCc2ccc(F)cc2)c1.
What is the InChIKey of 2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine?
The InChIKey is YGLGTTVHUQIFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2NO2/c23-19-6-1-17(2-7-19)14-26-21-10-5-16(11-12-25)13-22(21)27-15-18-3-8-20(24)9-4-18/h1-10,13H,11-12,14-15,25H2.
What are the key properties of 2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine?
2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine has a molecular weight of 369.41 g/mol, XLogP of 4.62, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis[(4-fluorophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 134127167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).