N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine

C17H20FNO — CID 64855811

IUPACN-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cc(C)ccc2F)c(C)c1
InChIInChI=1S/C17H20FNO/c1-4-19-11-14-6-8-16(13(3)10-14)20-17-9-12(2)5-7-15(17)18/h5-10,19H,4,11H2,1-3H3
InChIKeyLXHNYIRFBQINOX-UHFFFAOYSA-N
MW273.35 g/mol
LogP4.34
Rot. Bonds5

About N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine

N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine (PubChem CID 64855811) has the molecular formula C17H20FNO and a molecular weight of 273.35 g/mol. Its IUPAC name is N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine
PubChem CID64855811
Molecular FormulaC17H20FNO
Molecular Weight273.35 g/mol
Exact Mass273.15
IUPAC NameN-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cc(C)ccc2F)c(C)c1
InChIInChI=1S/C17H20FNO/c1-4-19-11-14-6-8-16(13(3)10-14)20-17-9-12(2)5-7-15(17)18/h5-10,19H,4,11H2,1-3H3
InChIKeyLXHNYIRFBQINOX-UHFFFAOYSA-N
XLogP4.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.35
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]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-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]methyl]ethanamine
CID 43282260
N-[[3-methyl-4-(2-methylphenoxy)phenyl]methyl]ethanamine
CID 63552188
N-[[4-(3-fluoro-4-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 107169923
N-[[3-(2-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406669
N-[[3-(2-chloro-5-methylphenoxy)-4-methylphenyl]methyl]ethanamine
CID 105407022
N-[[4-(2,4-dimethylphenyl)-3-fluorophenyl]methyl]ethanamine
CID 81446751
N-[[3-chloro-4-(5-fluoro-2-methylphenoxy)phenyl]methyl]ethanamine
CID 102990193
N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine
CID 64856226
N-[(3,4-difluorophenyl)methyl]ethanamine
CID 24690340
N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43282679
N-[[2-(4-chloro-2-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 62321836
N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382235

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine (CID 64855811) is N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine is CCNCc1ccc(Oc2cc(C)ccc2F)c(C)c1.
What is the InChIKey of N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine?
The InChIKey is LXHNYIRFBQINOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO/c1-4-19-11-14-6-8-16(13(3)10-14)20-17-9-12(2)5-7-15(17)18/h5-10,19H,4,11H2,1-3H3.
What are the key properties of N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine?
N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine has a molecular weight of 273.35 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-fluoro-5-methylphenoxy)-3-methylphenyl]methyl]ethanamine is sourced from PubChem (CID 64855811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).