1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine

C11H17IN2O — CID 66064711

IUPAC1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine
SMILESCCN(CCOC)c1ccc(I)cc1N
InChIInChI=1S/C11H17IN2O/c1-3-14(6-7-15-2)11-5-4-9(12)8-10(11)13/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyBIVOVJYYLAYVRE-UHFFFAOYSA-N
MW320.17 g/mol
LogP2.35
Rot. Bonds5

About 1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine

1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine (PubChem CID 66064711) has the molecular formula C11H17IN2O and a molecular weight of 320.17 g/mol. Its IUPAC name is 1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine
PubChem CID66064711
Molecular FormulaC11H17IN2O
Molecular Weight320.17 g/mol
Exact Mass320.04
IUPAC Name1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine
SMILESCCN(CCOC)c1ccc(I)cc1N
InChIInChI=1S/C11H17IN2O/c1-3-14(6-7-15-2)11-5-4-9(12)8-10(11)13/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyBIVOVJYYLAYVRE-UHFFFAOYSA-N
XLogP2.35
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine?
The IUPAC name of 1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine (CID 66064711) is 1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine is CCN(CCOC)c1ccc(I)cc1N.
What is the InChIKey of 1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine?
The InChIKey is BIVOVJYYLAYVRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2O/c1-3-14(6-7-15-2)11-5-4-9(12)8-10(11)13/h4-5,8H,3,6-7,13H2,1-2H3.
What are the key properties of 1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine?
1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine has a molecular weight of 320.17 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-4-iodo-1-N-(2-methoxyethyl)benzene-1,2-diamine is sourced from PubChem (CID 66064711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).