2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine

C17H20INO2 — CID 65476906

IUPAC2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine
SMILESCCOc1cccc(CCN)c1OCc1ccc(I)cc1
InChIInChI=1S/C17H20INO2/c1-2-20-16-5-3-4-14(10-11-19)17(16)21-12-13-6-8-15(18)9-7-13/h3-9H,2,10-12,19H2,1H3
InChIKeyMOIWTRWXLGPSAB-UHFFFAOYSA-N
MW397.26 g/mol
LogP3.77
Rot. Bonds7

About 2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine

2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine (PubChem CID 65476906) has the molecular formula C17H20INO2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine.

Molecular Properties

Compound Name2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine
PubChem CID65476906
Molecular FormulaC17H20INO2
Molecular Weight397.26 g/mol
Exact Mass397.05
IUPAC Name2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine
SMILESCCOc1cccc(CCN)c1OCc1ccc(I)cc1
InChIInChI=1S/C17H20INO2/c1-2-20-16-5-3-4-14(10-11-19)17(16)21-12-13-6-8-15(18)9-7-13/h3-9H,2,10-12,19H2,1H3
InChIKeyMOIWTRWXLGPSAB-UHFFFAOYSA-N
XLogP3.77
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethoxy-2-phenylmethoxyphenyl)butan-1-amine
CID 117482452
2-[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]ethanamine
CID 60905689
2-(3-ethoxy-2-pentoxyphenyl)ethanamine
CID 54930821
2-[3-ethoxy-2-(3-methoxypropoxy)phenyl]ethanamine
CID 54935377
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]acetonitrile
CID 60905803
2-(3-ethoxy-2-heptoxyphenyl)ethanamine
CID 60905453
2-[3-ethoxy-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 60905114
2-[3-ethoxy-2-(3-ethylsulfonylpropoxy)phenyl]ethanamine
CID 65095267
2-[2-ethoxy-3-(trifluoromethoxy)phenyl]ethanamine
CID 66967533
2-(4-chlorophenyl)-N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17208783
N-[[2-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]ethanamine;hydrochloride
CID 17206149
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906019

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine?
The IUPAC name of 2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine (CID 65476906) is 2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine.
What is the SMILES notation for 2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine?
The canonical SMILES for 2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine is CCOc1cccc(CCN)c1OCc1ccc(I)cc1.
What is the InChIKey of 2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine?
The InChIKey is MOIWTRWXLGPSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO2/c1-2-20-16-5-3-4-14(10-11-19)17(16)21-12-13-6-8-15(18)9-7-13/h3-9H,2,10-12,19H2,1H3.
What are the key properties of 2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine?
2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine has a molecular weight of 397.26 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxy-2-[(4-iodophenyl)methoxy]phenyl]ethanamine is sourced from PubChem (CID 65476906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).