(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine

C14H12Cl2INO — CID 103220223

IUPAC(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(I)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H12Cl2INO/c1-19-9-3-4-10(11(15)7-9)14(18)8-2-5-13(17)12(16)6-8/h2-7,14H,18H2,1H3
InChIKeyZGYAMFNLMDJUTJ-UHFFFAOYSA-N
MW408.07 g/mol
LogP4.65
Rot. Bonds3

About (3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine

(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine (PubChem CID 103220223) has the molecular formula C14H12Cl2INO and a molecular weight of 408.07 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine
PubChem CID103220223
Molecular FormulaC14H12Cl2INO
Molecular Weight408.07 g/mol
Exact Mass406.93
IUPAC Name(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine
SMILESCOc1ccc(C(N)c2ccc(I)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C14H12Cl2INO/c1-19-9-3-4-10(11(15)7-9)14(18)8-2-5-13(17)12(16)6-8/h2-7,14H,18H2,1H3
InChIKeyZGYAMFNLMDJUTJ-UHFFFAOYSA-N
XLogP4.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.07
LogP ≤ 54.65
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-chloro-4-iodophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 103215224
(3-chloro-4-fluorophenyl)-(2-chloro-4-methoxyphenyl)methanamine
CID 82875491
1,3-benzodioxol-5-yl-(2-chloro-4-methoxyphenyl)methanamine
CID 43561827
(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
CID 60788475
(3-chloro-4-iodophenyl)-(3-chloro-4-methoxyphenyl)methanamine
CID 103219970
(2-chloro-4-methylphenyl)-(4-methoxyphenyl)methanamine
CID 106856981
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
(4-bromo-2-chlorophenyl)-(4-methoxyphenyl)methanamine
CID 43805138
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
(3-chloro-4-fluorophenyl)-(2,5-dimethoxyphenyl)methanamine
CID 63093313
(5-bromofuran-2-yl)-(2-chloro-4-methoxyphenyl)methanamine
CID 43561843
(2-bromo-4-methoxyphenyl)-(3-iodophenyl)methanamine
CID 54919573

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine?
The IUPAC name of (3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine (CID 103220223) is (3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine?
The canonical SMILES for (3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine is COc1ccc(C(N)c2ccc(I)c(Cl)c2)c(Cl)c1.
What is the InChIKey of (3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine?
The InChIKey is ZGYAMFNLMDJUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2INO/c1-19-9-3-4-10(11(15)7-9)14(18)8-2-5-13(17)12(16)6-8/h2-7,14H,18H2,1H3.
What are the key properties of (3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine?
(3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine has a molecular weight of 408.07 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(2-chloro-4-methoxyphenyl)methanamine is sourced from PubChem (CID 103220223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).