N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine

C15H15FINO — CID 106533418

IUPACN-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(Oc2ccccc2I)c1
InChIInChI=1S/C15H15FINO/c1-2-18-10-11-7-12(16)9-13(8-11)19-15-6-4-3-5-14(15)17/h3-9,18H,2,10H2,1H3
InChIKeyITXROQDBPDRQDM-UHFFFAOYSA-N
MW371.19 g/mol
LogP4.33
Rot. Bonds5

About N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine

N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine (PubChem CID 106533418) has the molecular formula C15H15FINO and a molecular weight of 371.19 g/mol. Its IUPAC name is N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine
PubChem CID106533418
Molecular FormulaC15H15FINO
Molecular Weight371.19 g/mol
Exact Mass371.02
IUPAC NameN-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(Oc2ccccc2I)c1
InChIInChI=1S/C15H15FINO/c1-2-18-10-11-7-12(16)9-13(8-11)19-15-6-4-3-5-14(15)17/h3-9,18H,2,10H2,1H3
InChIKeyITXROQDBPDRQDM-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-[[3-(2,4-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533262
N-[[3-(4-ethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533297
N-[[3-(3,5-dimethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533327
N-[[3-(5-bromo-2,3-difluorophenoxy)-5-fluorophenyl]methyl]ethanamine
CID 107101981
N-[[3,5-difluoro-4-(2-iodophenoxy)phenyl]methyl]propan-1-amine
CID 63550731
3-[3-(ethylaminomethyl)-5-fluorophenoxy]-N,N-dimethylpropan-1-amine
CID 114524943
1-[3-fluoro-5-[2-(trifluoromethyl)phenoxy]phenyl]-N-methylmethanamine
CID 106531188
N-[[3-[(5-bromo-3-pyridinyl)oxy]-5-fluorophenyl]methyl]ethanamine
CID 106533485
N-[[3-(4-fluorophenoxy)-4-methylphenyl]methyl]ethanamine
CID 105406759
1-[3,5-difluoro-4-(2-iodophenoxy)phenyl]-N-methylmethanamine
CID 55146406
1-[3-(2,5-difluorophenoxy)-5-fluorophenyl]-N-methylmethanamine
CID 106531306
N-[[3-fluoro-5-(2-methoxyphenyl)sulfanylphenyl]methyl]ethanamine
CID 106534180

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine (CID 106533418) is N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine is CCNCc1cc(F)cc(Oc2ccccc2I)c1.
What is the InChIKey of N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine?
The InChIKey is ITXROQDBPDRQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FINO/c1-2-18-10-11-7-12(16)9-13(8-11)19-15-6-4-3-5-14(15)17/h3-9,18H,2,10H2,1H3.
What are the key properties of N-[[3-fluoro-5-(2-iodophenoxy)phenyl]methyl]ethanamine?
N-[[3-fluoro-5-(2-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-5-(2-iodophenoxy)phenyl]methyl]ethanamine is sourced from PubChem (CID 106533418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).