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

C15H15FINO — CID 43283689

IUPACN-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cccc(I)c2)c(F)c1
InChIInChI=1S/C15H15FINO/c1-2-18-10-11-6-7-15(14(16)8-11)19-13-5-3-4-12(17)9-13/h3-9,18H,2,10H2,1H3
InChIKeyZMEKZXFILQESAZ-UHFFFAOYSA-N
MW371.19 g/mol
LogP4.33
Rot. Bonds5

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

N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine (PubChem CID 43283689) has the molecular formula C15H15FINO and a molecular weight of 371.19 g/mol. Its IUPAC name is N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine
PubChem CID43283689
Molecular FormulaC15H15FINO
Molecular Weight371.19 g/mol
Exact Mass371.02
IUPAC NameN-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Oc2cccc(I)c2)c(F)c1
InChIInChI=1S/C15H15FINO/c1-2-18-10-11-6-7-15(14(16)8-11)19-13-5-3-4-12(17)9-13/h3-9,18H,2,10H2,1H3
InChIKeyZMEKZXFILQESAZ-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(3-bromophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43283217
N-[[3,5-difluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine
CID 63550530
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]cyclopropanamine
CID 43283686
N-[[3-fluoro-4-(3-nitrophenoxy)phenyl]methyl]ethanamine
CID 61031652
[4-[4-(ethylaminomethyl)-2-fluorophenoxy]phenyl]methanol
CID 61228377
N-[[3-fluoro-4-(4-methoxyphenoxy)phenyl]methyl]ethanamine
CID 43283372
N-[[3-chloro-4-(3-fluorophenoxy)phenyl]methyl]ethanamine
CID 81154570
N-[[4-(3-iodophenoxy)-3-methylphenyl]methyl]-2-methylpropan-1-amine
CID 63552944
N-[[3-fluoro-4-(4-iodophenoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63553316
N-[[3-chloro-4-(3-chlorophenoxy)phenyl]methyl]ethanamine
CID 81154643
N-[[4-(3-fluoro-4-methylphenoxy)-3-methylphenyl]methyl]ethanamine
CID 107169923
N-[[4-(2,5-dichlorophenoxy)-3-fluorophenyl]methyl]ethanamine
CID 43282679

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine (CID 43283689) is N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine is CCNCc1ccc(Oc2cccc(I)c2)c(F)c1.
What is the InChIKey of N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine?
The InChIKey is ZMEKZXFILQESAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FINO/c1-2-18-10-11-6-7-15(14(16)8-11)19-13-5-3-4-12(17)9-13/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine?
N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine has a molecular weight of 371.19 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(3-iodophenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 43283689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).