4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline

C16H19IN2O — CID 71329975

IUPAC4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline
SMILESCN(C)c1ccc(Oc2ccc(N(C)C)cc2I)cc1
InChIInChI=1S/C16H19IN2O/c1-18(2)12-5-8-14(9-6-12)20-16-10-7-13(19(3)4)11-15(16)17/h5-11H,1-4H3
InChIKeyJKPRXTMGFOHNHN-UHFFFAOYSA-N
MW382.25 g/mol
LogP4.22
Rot. Bonds4

About 4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline

4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline (PubChem CID 71329975) has the molecular formula C16H19IN2O and a molecular weight of 382.25 g/mol. Its IUPAC name is 4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline
PubChem CID71329975
Molecular FormulaC16H19IN2O
Molecular Weight382.25 g/mol
Exact Mass382.05
IUPAC Name4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline
SMILESCN(C)c1ccc(Oc2ccc(N(C)C)cc2I)cc1
InChIInChI=1S/C16H19IN2O/c1-18(2)12-5-8-14(9-6-12)20-16-10-7-13(19(3)4)11-15(16)17/h5-11H,1-4H3
InChIKeyJKPRXTMGFOHNHN-UHFFFAOYSA-N
XLogP4.22
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.25
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline?
The IUPAC name of 4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline (CID 71329975) is 4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline.
What is the SMILES notation for 4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline?
The canonical SMILES for 4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline is CN(C)c1ccc(Oc2ccc(N(C)C)cc2I)cc1.
What is the InChIKey of 4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline?
The InChIKey is JKPRXTMGFOHNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2O/c1-18(2)12-5-8-14(9-6-12)20-16-10-7-13(19(3)4)11-15(16)17/h5-11H,1-4H3.
What are the key properties of 4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline?
4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline has a molecular weight of 382.25 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)phenoxy]-3-iodo-N,N-dimethylaniline is sourced from PubChem (CID 71329975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).