N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine

C16H17F2NO2 — CID 63075624

IUPACN-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(Oc2ccc(OC)cc2)c(F)c1
InChIInChI=1S/C16H17F2NO2/c1-3-19-10-11-8-14(17)16(15(18)9-11)21-13-6-4-12(20-2)5-7-13/h4-9,19H,3,10H2,1-2H3
InChIKeyQBCZNGSJIWUISI-UHFFFAOYSA-N
MW293.31 g/mol
LogP3.88
Rot. Bonds6

About N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine

N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine (PubChem CID 63075624) has the molecular formula C16H17F2NO2 and a molecular weight of 293.31 g/mol. Its IUPAC name is N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
PubChem CID63075624
Molecular FormulaC16H17F2NO2
Molecular Weight293.31 g/mol
Exact Mass293.12
IUPAC NameN-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)c(Oc2ccc(OC)cc2)c(F)c1
InChIInChI=1S/C16H17F2NO2/c1-3-19-10-11-8-14(17)16(15(18)9-11)21-13-6-4-12(20-2)5-7-13/h4-9,19H,3,10H2,1-2H3
InChIKeyQBCZNGSJIWUISI-UHFFFAOYSA-N
XLogP3.88
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]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

N-[[3,5-difluoro-4-(4-fluorophenoxy)phenyl]methyl]ethanamine
CID 63075795
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 43283372
N-[[4-(3-chloro-4-fluorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63880043
N-[[4-(4-chloro-3-methylphenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63552720
N-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine
CID 63550530
N-[(3,5-difluoro-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 79892242
[4-[4-(ethylaminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61228377
N-[[4-(2-bromo-4-chlorophenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63552010
N-[[4-(2-bromo-4-methylphenoxy)-3,5-difluorophenyl]methyl]ethanamine
CID 63552938
1-(3,5-difluoro-4-phenoxyphenyl)-N-methylmethanamine
CID 63076148
4-(ethylaminomethyl)-2,6-difluorophenol
CID 79832688
1-[3,5-difluoro-4-[(4-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 79881861

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine (CID 63075624) is N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine is CCNCc1cc(F)c(Oc2ccc(OC)cc2)c(F)c1.
What is the InChIKey of N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine?
The InChIKey is QBCZNGSJIWUISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO2/c1-3-19-10-11-8-14(17)16(15(18)9-11)21-13-6-4-12(20-2)5-7-13/h4-9,19H,3,10H2,1-2H3.
What are the key properties of N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine?
N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine has a molecular weight of 293.31 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 63075624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).