(3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine

C15H16INO2 — CID 43124940

IUPAC(3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(I)c2)cc1OC
InChIInChI=1S/C15H16INO2/c1-18-13-7-6-11(9-14(13)19-2)15(17)10-4-3-5-12(16)8-10/h3-9,15H,17H2,1-2H3
InChIKeyHMIYKQZMYGJWSW-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.36
Rot. Bonds4

About (3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine

(3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine (PubChem CID 43124940) has the molecular formula C15H16INO2 and a molecular weight of 369.20 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine
PubChem CID43124940
Molecular FormulaC15H16INO2
Molecular Weight369.20 g/mol
Exact Mass369.02
IUPAC Name(3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine
SMILESCOc1ccc(C(N)c2cccc(I)c2)cc1OC
InChIInChI=1S/C15H16INO2/c1-18-13-7-6-11(9-14(13)19-2)15(17)10-4-3-5-12(16)8-10/h3-9,15H,17H2,1-2H3
InChIKeyHMIYKQZMYGJWSW-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

(2,6-dimethoxyphenyl)-(3-iodophenyl)methanamine
CID 105051973
(3-iodophenyl)-(4-propan-2-ylphenyl)methanamine
CID 43625266
(4-iodophenyl)-(3-methoxyphenyl)methanamine
CID 115785175
(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanamine
CID 63553809
(3-iodophenyl)-(2,4,5-trimethylphenyl)methanamine
CID 104990382
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
(2-bromophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 24688594
(3-ethoxyphenyl)-(3-iodophenyl)methanamine
CID 105022183
(3,4-dimethoxyphenyl)-(2-fluorophenyl)methanamine
CID 24688761
(2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine
CID 54919573
(R)-(3,4-dimethoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171246015
2-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)ethanamine
CID 62606810

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine?
The IUPAC name of (3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine (CID 43124940) is (3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine?
The canonical SMILES for (3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine is COc1ccc(C(N)c2cccc(I)c2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine?
The InChIKey is HMIYKQZMYGJWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2/c1-18-13-7-6-11(9-14(13)19-2)15(17)10-4-3-5-12(16)8-10/h3-9,15H,17H2,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine?
(3,4-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 (3,4-dimethoxyphenyl)-(3-iodophenyl)methanamine is sourced from PubChem (CID 43124940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).