2-(3-iodophenyl)-2-methoxyethanamine

C9H12INO — CID 130518588

IUPAC2-(3-iodophenyl)-2-methoxyethanamine
SMILESCOC(CN)c1cccc(I)c1
InChIInChI=1S/C9H12INO/c1-12-9(6-11)7-3-2-4-8(10)5-7/h2-5,9H,6,11H2,1H3
InChIKeyAYYLOZGOLFVSIG-UHFFFAOYSA-N
MW277.11 g/mol
LogP1.94
Rot. Bonds3

About 2-(3-iodophenyl)-2-methoxyethanamine

2-(3-iodophenyl)-2-methoxyethanamine (PubChem CID 130518588) has the molecular formula C9H12INO and a molecular weight of 277.11 g/mol. Its IUPAC name is 2-(3-iodophenyl)-2-methoxyethanamine.

Molecular Properties

Compound Name2-(3-iodophenyl)-2-methoxyethanamine
PubChem CID130518588
Molecular FormulaC9H12INO
Molecular Weight277.11 g/mol
Exact Mass277.00
IUPAC Name2-(3-iodophenyl)-2-methoxyethanamine
SMILESCOC(CN)c1cccc(I)c1
InChIInChI=1S/C9H12INO/c1-12-9(6-11)7-3-2-4-8(10)5-7/h2-5,9H,6,11H2,1H3
InChIKeyAYYLOZGOLFVSIG-UHFFFAOYSA-N
XLogP1.94
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 51.94
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-methoxy-2-(3-propoxyphenyl)ethanamine
CID 66072172
4-(2-amino-1-methoxyethyl)benzene-1,2-diol
CID 54042907
2-ethoxy-1-(3-iodophenyl)ethanamine
CID 105007873
2-(3-bromo-4-fluorophenyl)-2-methoxyethanamine
CID 66070724
diethyl 2-(3-iodophenyl)propanedioate
CID 135193492
2-(2,3-dihydro-1H-inden-5-yl)-2-methoxyethanamine
CID 82111881
methyl 2-chloro-2-(3-iodophenyl)acetate
CID 126977832
(2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine
CID 105051973
ethyl (3S)-3-amino-2-fluoro-3-(3-iodophenyl)propanoate
CID 171249950
(2R)-2-(1,3-benzodioxol-5-yl)-2-methoxyethanamine
CID 93341356
2-[3-(1,2-dimethoxyethyl)phenyl]ethanamine
CID 117299336
(3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine
CID 43124940

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-2-methoxyethanamine?
The IUPAC name of 2-(3-iodophenyl)-2-methoxyethanamine (CID 130518588) is 2-(3-iodophenyl)-2-methoxyethanamine.
What is the SMILES notation for 2-(3-iodophenyl)-2-methoxyethanamine?
The canonical SMILES for 2-(3-iodophenyl)-2-methoxyethanamine is COC(CN)c1cccc(I)c1.
What is the InChIKey of 2-(3-iodophenyl)-2-methoxyethanamine?
The InChIKey is AYYLOZGOLFVSIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12INO/c1-12-9(6-11)7-3-2-4-8(10)5-7/h2-5,9H,6,11H2,1H3.
What are the key properties of 2-(3-iodophenyl)-2-methoxyethanamine?
2-(3-iodophenyl)-2-methoxyethanamine has a molecular weight of 277.11 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-2-methoxyethanamine is sourced from PubChem (CID 130518588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).