(3-ethoxyphenyl)-(3-iodophenyl)methanamine

C15H16INO — CID 105022183

IUPAC(3-ethoxyphenyl)-(3-iodophenyl)methanamine
SMILESCCOc1cccc(C(N)c2cccc(I)c2)c1
InChIInChI=1S/C15H16INO/c1-2-18-14-8-4-6-12(10-14)15(17)11-5-3-7-13(16)9-11/h3-10,15H,2,17H2,1H3
InChIKeyPXLWIDUYBCSQBX-UHFFFAOYSA-N
MW353.20 g/mol
LogP3.74
Rot. Bonds4

About (3-ethoxyphenyl)-(3-iodophenyl)methanamine

(3-ethoxyphenyl)-(3-iodophenyl)methanamine (PubChem CID 105022183) has the molecular formula C15H16INO and a molecular weight of 353.20 g/mol. Its IUPAC name is (3-ethoxyphenyl)-(3-iodophenyl)methanamine.

Molecular Properties

Compound Name(3-ethoxyphenyl)-(3-iodophenyl)methanamine
PubChem CID105022183
Molecular FormulaC15H16INO
Molecular Weight353.20 g/mol
Exact Mass353.03
IUPAC Name(3-ethoxyphenyl)-(3-iodophenyl)methanamine
SMILESCCOc1cccc(C(N)c2cccc(I)c2)c1
InChIInChI=1S/C15H16INO/c1-2-18-14-8-4-6-12(10-14)15(17)11-5-3-7-13(16)9-11/h3-10,15H,2,17H2,1H3
InChIKeyPXLWIDUYBCSQBX-UHFFFAOYSA-N
XLogP3.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 53.74
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

(3-ethoxyphenyl)-(3-methylphenyl)methanamine
CID 60798038
(3-ethoxyphenyl)-(3-fluorophenyl)methanamine
CID 60798040
(3-ethoxyphenyl)-(3-propylphenyl)methanamine
CID 116543834
(3-ethoxyphenyl)-(6-methyl-3-pyridinyl)methanamine
CID 63156095
(3-chloro-4-methylphenyl)-(3-ethoxyphenyl)methanamine
CID 105022224
(2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine
CID 55056840
(4-bromo-3-fluorophenyl)-(3-ethoxyphenyl)methanamine
CID 105022404
(1S)-1-(3-ethoxyphenyl)-2,2-dimethylpropan-1-amine
CID 94424615
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
(2,3-difluorophenyl)-(3-ethoxyphenyl)methanamine
CID 63987975
(1R)-1-(3-ethoxyphenyl)-2-fluoroethanamine;hydrochloride
CID 171225210
1-(3-ethoxyphenyl)-2-methylbutan-1-amine
CID 79444348

Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)-(3-iodophenyl)methanamine?
The IUPAC name of (3-ethoxyphenyl)-(3-iodophenyl)methanamine (CID 105022183) is (3-ethoxyphenyl)-(3-iodophenyl)methanamine.
What is the SMILES notation for (3-ethoxyphenyl)-(3-iodophenyl)methanamine?
The canonical SMILES for (3-ethoxyphenyl)-(3-iodophenyl)methanamine is CCOc1cccc(C(N)c2cccc(I)c2)c1.
What is the InChIKey of (3-ethoxyphenyl)-(3-iodophenyl)methanamine?
The InChIKey is PXLWIDUYBCSQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO/c1-2-18-14-8-4-6-12(10-14)15(17)11-5-3-7-13(16)9-11/h3-10,15H,2,17H2,1H3.
What are the key properties of (3-ethoxyphenyl)-(3-iodophenyl)methanamine?
(3-ethoxyphenyl)-(3-iodophenyl)methanamine has a molecular weight of 353.20 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)-(3-iodophenyl)methanamine is sourced from PubChem (CID 105022183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).