N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine

C12H19IN2O2 — CID 2280836

IUPACN'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine
SMILESNCCNCCOCCOc1ccc(I)cc1
InChIInChI=1S/C12H19IN2O2/c13-11-1-3-12(4-2-11)17-10-9-16-8-7-15-6-5-14/h1-4,15H,5-10,14H2
InChIKeyLHTNVZFBDODJFQ-UHFFFAOYSA-N
MW350.20 g/mol
LogP1.23
Rot. Bonds9

About N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine

N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine (PubChem CID 2280836) has the molecular formula C12H19IN2O2 and a molecular weight of 350.20 g/mol. Its IUPAC name is N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine
PubChem CID2280836
Molecular FormulaC12H19IN2O2
Molecular Weight350.20 g/mol
Exact Mass350.05
IUPAC NameN'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine
SMILESNCCNCCOCCOc1ccc(I)cc1
InChIInChI=1S/C12H19IN2O2/c13-11-1-3-12(4-2-11)17-10-9-16-8-7-15-6-5-14/h1-4,15H,5-10,14H2
InChIKeyLHTNVZFBDODJFQ-UHFFFAOYSA-N
XLogP1.23
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280947
N'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280740
1-(2-butoxyethoxy)-4-iodobenzene
CID 25259264
4-[2-(2-aminoethylamino)ethoxy]benzonitrile
CID 69276381
N-butyl-4-(4-iodophenoxy)butan-1-amine
CID 2247309
3-[2-(4-iodophenoxy)ethylamino]propanenitrile
CID 144947038
(1R)-1-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 155251107
3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2869969
N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2923613
tert-butyl N-[2-[2-[2-[2-(4-iodophenoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 138695945
1-iodo-4-[2-(3-methylbutoxy)ethoxy]benzene
CID 63530619
2-[2-(4-iodophenoxy)ethoxy]ethyl-propan-2-ylazanium
CID 2280733

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine (CID 2280836) is N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine is NCCNCCOCCOc1ccc(I)cc1.
What is the InChIKey of N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine?
The InChIKey is LHTNVZFBDODJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19IN2O2/c13-11-1-3-12(4-2-11)17-10-9-16-8-7-15-6-5-14/h1-4,15H,5-10,14H2.
What are the key properties of N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine?
N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine has a molecular weight of 350.20 g/mol, XLogP of 1.23, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 2280836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).