2-chloro-N,N-diethyl-4-iodoaniline

C10H13ClIN — CID 107606923

IUPAC2-chloro-N,N-diethyl-4-iodoaniline
SMILESCCN(CC)c1ccc(I)cc1Cl
InChIInChI=1S/C10H13ClIN/c1-3-13(4-2)10-6-5-8(12)7-9(10)11/h5-7H,3-4H2,1-2H3
InChIKeyVUWFUAMDUUTJEN-UHFFFAOYSA-N
MW309.58 g/mol
LogP3.79
Rot. Bonds3

About 2-chloro-N,N-diethyl-4-iodoaniline

2-chloro-N,N-diethyl-4-iodoaniline (PubChem CID 107606923) has the molecular formula C10H13ClIN and a molecular weight of 309.58 g/mol. Its IUPAC name is 2-chloro-N,N-diethyl-4-iodoaniline.

Molecular Properties

Compound Name2-chloro-N,N-diethyl-4-iodoaniline
PubChem CID107606923
Molecular FormulaC10H13ClIN
Molecular Weight309.58 g/mol
Exact Mass308.98
IUPAC Name2-chloro-N,N-diethyl-4-iodoaniline
SMILESCCN(CC)c1ccc(I)cc1Cl
InChIInChI=1S/C10H13ClIN/c1-3-13(4-2)10-6-5-8(12)7-9(10)11/h5-7H,3-4H2,1-2H3
InChIKeyVUWFUAMDUUTJEN-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.58
LogP ≤ 53.79
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-chloro-N,N-diethyl-4-iodoaniline?
The IUPAC name of 2-chloro-N,N-diethyl-4-iodoaniline (CID 107606923) is 2-chloro-N,N-diethyl-4-iodoaniline.
What is the SMILES notation for 2-chloro-N,N-diethyl-4-iodoaniline?
The canonical SMILES for 2-chloro-N,N-diethyl-4-iodoaniline is CCN(CC)c1ccc(I)cc1Cl.
What is the InChIKey of 2-chloro-N,N-diethyl-4-iodoaniline?
The InChIKey is VUWFUAMDUUTJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClIN/c1-3-13(4-2)10-6-5-8(12)7-9(10)11/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-chloro-N,N-diethyl-4-iodoaniline?
2-chloro-N,N-diethyl-4-iodoaniline has a molecular weight of 309.58 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-diethyl-4-iodoaniline is sourced from PubChem (CID 107606923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).