2-ethoxy-1-(3-iodophenyl)ethanamine

C10H14INO — CID 105007873

IUPAC2-ethoxy-1-(3-iodophenyl)ethanamine
SMILESCCOCC(N)c1cccc(I)c1
InChIInChI=1S/C10H14INO/c1-2-13-7-10(12)8-4-3-5-9(11)6-8/h3-6,10H,2,7,12H2,1H3
InChIKeyZXDCIAPXIJUDSH-UHFFFAOYSA-N
MW291.13 g/mol
LogP2.33
Rot. Bonds4

About 2-ethoxy-1-(3-iodophenyl)ethanamine

2-ethoxy-1-(3-iodophenyl)ethanamine (PubChem CID 105007873) has the molecular formula C10H14INO and a molecular weight of 291.13 g/mol. Its IUPAC name is 2-ethoxy-1-(3-iodophenyl)ethanamine.

Molecular Properties

Compound Name2-ethoxy-1-(3-iodophenyl)ethanamine
PubChem CID105007873
Molecular FormulaC10H14INO
Molecular Weight291.13 g/mol
Exact Mass291.01
IUPAC Name2-ethoxy-1-(3-iodophenyl)ethanamine
SMILESCCOCC(N)c1cccc(I)c1
InChIInChI=1S/C10H14INO/c1-2-13-7-10(12)8-4-3-5-9(11)6-8/h3-6,10H,2,7,12H2,1H3
InChIKeyZXDCIAPXIJUDSH-UHFFFAOYSA-N
XLogP2.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.13
LogP ≤ 52.33
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

carbon dioxide;1-(3-iodophenyl)propan-1-amine
CID 161357167
3-(1-amino-2-ethoxyethyl)-N,N-dimethylaniline
CID 105165045
(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride
CID 133268753
(1S)-1-(3-iodophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171230181
(3-ethoxyphenyl)-(3-iodophenyl)methanamine
CID 105022183
diethyl 2-(3-iodophenyl)propanedioate
CID 135193492
1-[3-(1-aminopropyl)phenyl]propan-1-amine
CID 20543882
ethyl (3S)-3-amino-2-fluoro-3-(3-iodophenyl)propanoate
CID 171249950
(1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride
CID 171210552
(2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine
CID 55056840
1-(3-iodophenyl)-N-methyl-2-propoxyethanamine
CID 105008577
(1S)-1-(3-iodophenyl)-2,2-dimethylpropan-1-amine;hydrochloride
CID 171243215

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(3-iodophenyl)ethanamine?
The IUPAC name of 2-ethoxy-1-(3-iodophenyl)ethanamine (CID 105007873) is 2-ethoxy-1-(3-iodophenyl)ethanamine.
What is the SMILES notation for 2-ethoxy-1-(3-iodophenyl)ethanamine?
The canonical SMILES for 2-ethoxy-1-(3-iodophenyl)ethanamine is CCOCC(N)c1cccc(I)c1.
What is the InChIKey of 2-ethoxy-1-(3-iodophenyl)ethanamine?
The InChIKey is ZXDCIAPXIJUDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14INO/c1-2-13-7-10(12)8-4-3-5-9(11)6-8/h3-6,10H,2,7,12H2,1H3.
What are the key properties of 2-ethoxy-1-(3-iodophenyl)ethanamine?
2-ethoxy-1-(3-iodophenyl)ethanamine has a molecular weight of 291.13 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(3-iodophenyl)ethanamine is sourced from PubChem (CID 105007873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).