2-iodo-N,N,4,6-tetramethylaniline

C10H14IN — CID 129229050

IUPAC2-iodo-N,N,4,6-tetramethylaniline
SMILESCc1cc(C)c(N(C)C)c(I)c1
InChIInChI=1S/C10H14IN/c1-7-5-8(2)10(12(3)4)9(11)6-7/h5-6H,1-4H3
InChIKeyCNQTYJOZDCIHOE-UHFFFAOYSA-N
MW275.13 g/mol
LogP2.97
Rot. Bonds1

About 2-iodo-N,N,4,6-tetramethylaniline

2-iodo-N,N,4,6-tetramethylaniline (PubChem CID 129229050) has the molecular formula C10H14IN and a molecular weight of 275.13 g/mol. Its IUPAC name is 2-iodo-N,N,4,6-tetramethylaniline.

Molecular Properties

Compound Name2-iodo-N,N,4,6-tetramethylaniline
PubChem CID129229050
Molecular FormulaC10H14IN
Molecular Weight275.13 g/mol
Exact Mass275.02
IUPAC Name2-iodo-N,N,4,6-tetramethylaniline
SMILESCc1cc(C)c(N(C)C)c(I)c1
InChIInChI=1S/C10H14IN/c1-7-5-8(2)10(12(3)4)9(11)6-7/h5-6H,1-4H3
InChIKeyCNQTYJOZDCIHOE-UHFFFAOYSA-N
XLogP2.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N,N,4,6-tetramethylaniline?
The IUPAC name of 2-iodo-N,N,4,6-tetramethylaniline (CID 129229050) is 2-iodo-N,N,4,6-tetramethylaniline.
What is the SMILES notation for 2-iodo-N,N,4,6-tetramethylaniline?
The canonical SMILES for 2-iodo-N,N,4,6-tetramethylaniline is Cc1cc(C)c(N(C)C)c(I)c1.
What is the InChIKey of 2-iodo-N,N,4,6-tetramethylaniline?
The InChIKey is CNQTYJOZDCIHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN/c1-7-5-8(2)10(12(3)4)9(11)6-7/h5-6H,1-4H3.
What are the key properties of 2-iodo-N,N,4,6-tetramethylaniline?
2-iodo-N,N,4,6-tetramethylaniline has a molecular weight of 275.13 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N,N,4,6-tetramethylaniline is sourced from PubChem (CID 129229050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).