4-(2,4-dimethylphenoxy)-3-iodoaniline

C14H14INO — CID 66094612

IUPAC4-(2,4-dimethylphenoxy)-3-iodoaniline
SMILESCc1ccc(Oc2ccc(N)cc2I)c(C)c1
InChIInChI=1S/C14H14INO/c1-9-3-5-13(10(2)7-9)17-14-6-4-11(16)8-12(14)15/h3-8H,16H2,1-2H3
InChIKeyDWMJYNMEQXZBEN-UHFFFAOYSA-N
MW339.18 g/mol
LogP4.28
Rot. Bonds2

About 4-(2,4-dimethylphenoxy)-3-iodoaniline

4-(2,4-dimethylphenoxy)-3-iodoaniline (PubChem CID 66094612) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is 4-(2,4-dimethylphenoxy)-3-iodoaniline.

Molecular Properties

Compound Name4-(2,4-dimethylphenoxy)-3-iodoaniline
PubChem CID66094612
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC Name4-(2,4-dimethylphenoxy)-3-iodoaniline
SMILESCc1ccc(Oc2ccc(N)cc2I)c(C)c1
InChIInChI=1S/C14H14INO/c1-9-3-5-13(10(2)7-9)17-14-6-4-11(16)8-12(14)15/h3-8H,16H2,1-2H3
InChIKeyDWMJYNMEQXZBEN-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(2-chloro-4-methylphenoxy)-3-iodoaniline
CID 66094007
4-(2-fluoro-3-methylphenoxy)-3-iodoaniline
CID 107655538
4-(4-amino-2-iodophenoxy)-3,5-dimethylbenzonitrile
CID 66095649
2-(2,4-dimethylphenoxy)phenol
CID 91665530
4-(2-bromo-4-methoxyphenoxy)-3-iodoaniline
CID 113443529
4-(4-fluorophenoxy)-3-iodoaniline
CID 66092753
4-(2-tert-butyl-4-ethylphenoxy)-3-iodoaniline
CID 66093586
3-(difluoromethyl)-4-(2,5-dimethylphenoxy)aniline
CID 63735666
3-iodo-4-(4-methylsulfonylphenoxy)aniline
CID 66095645
[2-(2,4-dimethylphenoxy)phenyl]methanamine
CID 19627395
2-(2,4-dimethylphenoxy)-5-methylbenzonitrile
CID 107928070
magnesium;hydride;1-iodo-2,4-dimethylbenzene
CID 173036692

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylphenoxy)-3-iodoaniline?
The IUPAC name of 4-(2,4-dimethylphenoxy)-3-iodoaniline (CID 66094612) is 4-(2,4-dimethylphenoxy)-3-iodoaniline.
What is the SMILES notation for 4-(2,4-dimethylphenoxy)-3-iodoaniline?
The canonical SMILES for 4-(2,4-dimethylphenoxy)-3-iodoaniline is Cc1ccc(Oc2ccc(N)cc2I)c(C)c1.
What is the InChIKey of 4-(2,4-dimethylphenoxy)-3-iodoaniline?
The InChIKey is DWMJYNMEQXZBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO/c1-9-3-5-13(10(2)7-9)17-14-6-4-11(16)8-12(14)15/h3-8H,16H2,1-2H3.
What are the key properties of 4-(2,4-dimethylphenoxy)-3-iodoaniline?
4-(2,4-dimethylphenoxy)-3-iodoaniline has a molecular weight of 339.18 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylphenoxy)-3-iodoaniline is sourced from PubChem (CID 66094612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).