(2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine

C15H16INO2 — CID 105051973

IUPAC(2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine
SMILESCOc1cccc(OC)c1C(N)c1cccc(I)c1
InChIInChI=1S/C15H16INO2/c1-18-12-7-4-8-13(19-2)14(12)15(17)10-5-3-6-11(16)9-10/h3-9,15H,17H2,1-2H3
InChIKeyAGSYURQSFGKXOF-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.36
Rot. Bonds4

About (2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine

(2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine (PubChem CID 105051973) has the molecular formula C15H16INO2 and a molecular weight of 369.20 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine
PubChem CID105051973
Molecular FormulaC15H16INO2
Molecular Weight369.20 g/mol
Exact Mass369.02
IUPAC Name(2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine
SMILESCOc1cccc(OC)c1C(N)c1cccc(I)c1
InChIInChI=1S/C15H16INO2/c1-18-12-7-4-8-13(19-2)14(12)15(17)10-5-3-6-11(16)9-10/h3-9,15H,17H2,1-2H3
InChIKeyAGSYURQSFGKXOF-UHFFFAOYSA-N
XLogP3.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.20
LogP ≤ 53.36
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

(3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine
CID 43124940
(3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990382
(2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine
CID 54919573
(3-iodophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625266
4-[amino-(2,6-dimethoxyphenyl)methyl]-N,N-dimethylaniline
CID 105188768
(3-ethoxyphenyl)-(3-iodophenyl)methanamine
CID 105022183
(2-methoxy-4,6-dimethylphenyl)-(3-methylphenyl)methanamine
CID 106680388
(2,6-dimethoxyphenyl)-(2,4,5-trifluorophenyl)methanamine
CID 103301943
(2,6-dimethoxyphenyl)-(2-methoxy-5-methylphenyl)methanamine
CID 43626072
(2,6-dimethoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanamine
CID 43122398
(4-iodophenyl)-(3-methoxyphenyl)methanamine
CID 115785175
(2-ethoxy-5-methylphenyl)-(3-iodophenyl)methanamine
CID 55056840

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine?
The IUPAC name of (2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine (CID 105051973) is (2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine.
What is the SMILES notation for (2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine?
The canonical SMILES for (2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine is COc1cccc(OC)c1C(N)c1cccc(I)c1.
What is the InChIKey of (2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine?
The InChIKey is AGSYURQSFGKXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2/c1-18-12-7-4-8-13(19-2)14(12)15(17)10-5-3-6-11(16)9-10/h3-9,15H,17H2,1-2H3.
What are the key properties of (2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine?
(2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine has a molecular weight of 369.20 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine is sourced from PubChem (CID 105051973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).