4-[bis(2-iodoethyl)amino]phenol

C10H13I2NO — CID 10477042

IUPAC4-[bis(2-iodoethyl)amino]phenol
SMILESOc1ccc(N(CCI)CCI)cc1
InChIInChI=1S/C10H13I2NO/c11-5-7-13(8-6-12)9-1-3-10(14)4-2-9/h1-4,14H,5-8H2
InChIKeyUTLFGESYSYRPFN-UHFFFAOYSA-N
MW417.03 g/mol
LogP3.07
Rot. Bonds5

About 4-[bis(2-iodoethyl)amino]phenol

4-[bis(2-iodoethyl)amino]phenol (PubChem CID 10477042) has the molecular formula C10H13I2NO and a molecular weight of 417.03 g/mol. Its IUPAC name is 4-[bis(2-iodoethyl)amino]phenol.

Molecular Properties

Compound Name4-[bis(2-iodoethyl)amino]phenol
PubChem CID10477042
Molecular FormulaC10H13I2NO
Molecular Weight417.03 g/mol
Exact Mass416.91
IUPAC Name4-[bis(2-iodoethyl)amino]phenol
SMILESOc1ccc(N(CCI)CCI)cc1
InChIInChI=1S/C10H13I2NO/c11-5-7-13(8-6-12)9-1-3-10(14)4-2-9/h1-4,14H,5-8H2
InChIKeyUTLFGESYSYRPFN-UHFFFAOYSA-N
XLogP3.07
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.03
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-iodoethyl)amino]phenol?
The IUPAC name of 4-[bis(2-iodoethyl)amino]phenol (CID 10477042) is 4-[bis(2-iodoethyl)amino]phenol.
What is the SMILES notation for 4-[bis(2-iodoethyl)amino]phenol?
The canonical SMILES for 4-[bis(2-iodoethyl)amino]phenol is Oc1ccc(N(CCI)CCI)cc1.
What is the InChIKey of 4-[bis(2-iodoethyl)amino]phenol?
The InChIKey is UTLFGESYSYRPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13I2NO/c11-5-7-13(8-6-12)9-1-3-10(14)4-2-9/h1-4,14H,5-8H2.
What are the key properties of 4-[bis(2-iodoethyl)amino]phenol?
4-[bis(2-iodoethyl)amino]phenol has a molecular weight of 417.03 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-iodoethyl)amino]phenol is sourced from PubChem (CID 10477042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).