2-[2-(3-iodophenoxy)phenyl]ethanamine

C14H14INO — CID 63803655

IUPAC2-[2-(3-iodophenoxy)phenyl]ethanamine
SMILESNCCc1ccccc1Oc1cccc(I)c1
InChIInChI=1S/C14H14INO/c15-12-5-3-6-13(10-12)17-14-7-2-1-4-11(14)8-9-16/h1-7,10H,8-9,16H2
InChIKeyHDCLARMKZLVOLU-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.58
Rot. Bonds4

About 2-[2-(3-iodophenoxy)phenyl]ethanamine

2-[2-(3-iodophenoxy)phenyl]ethanamine (PubChem CID 63803655) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is 2-[2-(3-iodophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(3-iodophenoxy)phenyl]ethanamine
PubChem CID63803655
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC Name2-[2-(3-iodophenoxy)phenyl]ethanamine
SMILESNCCc1ccccc1Oc1cccc(I)c1
InChIInChI=1S/C14H14INO/c15-12-5-3-6-13(10-12)17-14-7-2-1-4-11(14)8-9-16/h1-7,10H,8-9,16H2
InChIKeyHDCLARMKZLVOLU-UHFFFAOYSA-N
XLogP3.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.58
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

2-[2-(3-ethoxyphenoxy)phenyl]ethanamine
CID 63804354
2-(2-pyridin-3-yloxyphenyl)ethanamine
CID 63816614
2-[3-(2-iodophenoxy)phenyl]ethanamine
CID 63941765
3-[2-[2-[2-(4-aminophenoxy)phenyl]ethyl]phenoxy]aniline
CID 67120556
3-(2-phenoxyphenyl)propan-1-amine;phosphane
CID 175469418
2-[2-(2-fluorophenoxy)phenyl]ethanamine
CID 63817709
[2-(3-bromophenoxy)phenyl]methanamine
CID 28966197
2-[6-(3-iodophenoxy)-3-pyridinyl]ethanamine
CID 80639888
3-[2-(3,4-difluorophenoxy)phenyl]propan-1-amine
CID 53434344
1,3-bis[2-(chloromethyl)phenoxy]benzene
CID 19038526
2-[2-(4-butylphenoxy)phenyl]ethanamine
CID 115493511
5-chloro-2-(3-iodophenoxy)aniline
CID 43144795

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-iodophenoxy)phenyl]ethanamine?
The IUPAC name of 2-[2-(3-iodophenoxy)phenyl]ethanamine (CID 63803655) is 2-[2-(3-iodophenoxy)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(3-iodophenoxy)phenyl]ethanamine?
The canonical SMILES for 2-[2-(3-iodophenoxy)phenyl]ethanamine is NCCc1ccccc1Oc1cccc(I)c1.
What is the InChIKey of 2-[2-(3-iodophenoxy)phenyl]ethanamine?
The InChIKey is HDCLARMKZLVOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO/c15-12-5-3-6-13(10-12)17-14-7-2-1-4-11(14)8-9-16/h1-7,10H,8-9,16H2.
What are the key properties of 2-[2-(3-iodophenoxy)phenyl]ethanamine?
2-[2-(3-iodophenoxy)phenyl]ethanamine has a molecular weight of 339.18 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-iodophenoxy)phenyl]ethanamine is sourced from PubChem (CID 63803655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).