(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine

C15H16INO2 — CID 43124868

IUPAC(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine
SMILESCOc1ccc(OC)c(C(N)c2ccc(I)cc2)c1
InChIInChI=1S/C15H16INO2/c1-18-12-7-8-14(19-2)13(9-12)15(17)10-3-5-11(16)6-4-10/h3-9,15H,17H2,1-2H3
InChIKeyFUHFFXIOYPCGRB-UHFFFAOYSA-N
MW369.20 g/mol
LogP3.36
Rot. Bonds4

About (2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine

(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine (PubChem CID 43124868) has the molecular formula C15H16INO2 and a molecular weight of 369.20 g/mol. Its IUPAC name is (2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine.

Molecular Properties

Compound Name(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine
PubChem CID43124868
Molecular FormulaC15H16INO2
Molecular Weight369.20 g/mol
Exact Mass369.02
IUPAC Name(2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine
SMILESCOc1ccc(OC)c(C(N)c2ccc(I)cc2)c1
InChIInChI=1S/C15H16INO2/c1-18-12-7-8-14(19-2)13(9-12)15(17)10-3-5-11(16)6-4-10/h3-9,15H,17H2,1-2H3
InChIKeyFUHFFXIOYPCGRB-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

(2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43197203
2-[chloro-(4-iodophenyl)methyl]-1,4-dimethoxybenzene
CID 63429406
(5-fluoro-2-methoxyphenyl)-(4-methoxyphenyl)methanamine
CID 43122364
(2,5-dimethoxyphenyl)-thiophen-3-ylmethanamine
CID 43464043
(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 63093313
(4-iodophenyl)-(3-methoxyphenyl)methanamine
CID 115785175
(4-iodophenyl)-(4-methoxynaphthalen-1-yl)methanamine
CID 43150760
amino-(2,5-dimethoxyphenyl)methanol
CID 116939586
(4-bromo-2,5-dimethoxyphenyl)-(4-methoxyphenyl)methanamine
CID 105056617
(2-chlorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 43197194
(2,5-dimethoxyphenyl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559426
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)-3-methylbutan-2-ol
CID 171160952

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine?
The IUPAC name of (2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine (CID 43124868) is (2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine.
What is the SMILES notation for (2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine?
The canonical SMILES for (2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine is COc1ccc(OC)c(C(N)c2ccc(I)cc2)c1.
What is the InChIKey of (2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine?
The InChIKey is FUHFFXIOYPCGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16INO2/c1-18-12-7-8-14(19-2)13(9-12)15(17)10-3-5-11(16)6-4-10/h3-9,15H,17H2,1-2H3.
What are the key properties of (2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine?
(2,5-dimethoxyphenyl)-(4-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 (2,5-dimethoxyphenyl)-(4-iodophenyl)methanamine is sourced from PubChem (CID 43124868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).