N,N-diethyl-4-iodoaniline

C10H14IN — CID 621429

IUPACN,N-diethyl-4-iodoaniline
SMILESCCN(CC)c1ccc(I)cc1
InChIInChI=1S/C10H14IN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyMQSLKAHRPPLMAA-UHFFFAOYSA-N
MW275.13 g/mol
LogP3.14
Rot. Bonds3

About N,N-diethyl-4-iodoaniline

N,N-diethyl-4-iodoaniline (PubChem CID 621429) has the molecular formula C10H14IN and a molecular weight of 275.13 g/mol. Its IUPAC name is N,N-diethyl-4-iodoaniline.

Molecular Properties

Compound NameN,N-diethyl-4-iodoaniline
PubChem CID621429
Molecular FormulaC10H14IN
Molecular Weight275.13 g/mol
Exact Mass275.02
IUPAC NameN,N-diethyl-4-iodoaniline
SMILESCCN(CC)c1ccc(I)cc1
InChIInChI=1S/C10H14IN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3
InChIKeyMQSLKAHRPPLMAA-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.13
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-diethyl-4-iodoaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-iodoaniline?
The IUPAC name of N,N-diethyl-4-iodoaniline (CID 621429) is N,N-diethyl-4-iodoaniline.
What is the SMILES notation for N,N-diethyl-4-iodoaniline?
The canonical SMILES for N,N-diethyl-4-iodoaniline is CCN(CC)c1ccc(I)cc1.
What is the InChIKey of N,N-diethyl-4-iodoaniline?
The InChIKey is MQSLKAHRPPLMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN/c1-3-12(4-2)10-7-5-9(11)6-8-10/h5-8H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-4-iodoaniline?
N,N-diethyl-4-iodoaniline has a molecular weight of 275.13 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-iodoaniline is sourced from PubChem (CID 621429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).