N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine

C16H18FNO2 — CID 43283372

IUPACN-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccc(OC)cc2)c(F)c1
InChIInChI=1S/C16H18FNO2/c1-3-18-11-12-4-9-16(15(17)10-12)20-14-7-5-13(19-2)6-8-14/h4-10,18H,3,11H2,1-2H3
InChIKeySZAYHRHIPBVZSY-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.74
Rot. Bonds6

About N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine

N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine (PubChem CID 43283372) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
PubChem CID43283372
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC NameN-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2ccc(OC)cc2)c(F)c1
InChIInChI=1S/C16H18FNO2/c1-3-18-11-12-4-9-16(15(17)10-12)20-14-7-5-13(19-2)6-8-14/h4-10,18H,3,11H2,1-2H3
InChIKeySZAYHRHIPBVZSY-UHFFFAOYSA-N
XLogP3.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[3-fluoro-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

[4-[4-(ethylaminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61228377
N-[[3,5-difluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 63075624
N-[[3-fluoro-4-(2-methoxy-4-methylphenoxy)phenyl]methyl]ethanamine
CID 43282260
4-(bromomethyl)-2-fluoro-1-(4-methoxyphenoxy)benzene
CID 107087234
N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43283217
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine
CID 43283689
N-[[4-(4-chlorophenoxy)-3-fluorophenyl]methyl]propan-1-amine
CID 43282990
N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43282679
N-[[4-(3-fluoro-4-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 107169923
N-[[3-fluoro-4-(3-nitrophenoxy)phenyl]methyl]ethanamine
CID 61031652
N-[[3-(3-fluoro-4-methylphenoxy)-4-methylphenyl]methyl]ethanamine
CID 107169882

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine (CID 43283372) is N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine is CCNCc1ccc(Oc2ccc(OC)cc2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine?
The InChIKey is SZAYHRHIPBVZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-3-18-11-12-4-9-16(15(17)10-12)20-14-7-5-13(19-2)6-8-14/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine?
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine has a molecular weight of 275.32 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43283372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).