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

C13H22N2O3 — CID 2280947

IUPACN'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
SMILESCOc1ccc(OCCOCCNCCN)cc1
InChIInChI=1S/C13H22N2O3/c1-16-12-2-4-13(5-3-12)18-11-10-17-9-8-15-7-6-14/h2-5,15H,6-11,14H2,1H3
InChIKeyFVBPEYVITVXGNV-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.64
Rot. Bonds10

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

N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine (PubChem CID 2280947) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
PubChem CID2280947
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine
SMILESCOc1ccc(OCCOCCNCCN)cc1
InChIInChI=1S/C13H22N2O3/c1-16-12-2-4-13(5-3-12)18-11-10-17-9-8-15-7-6-14/h2-5,15H,6-11,14H2,1H3
InChIKeyFVBPEYVITVXGNV-UHFFFAOYSA-N
XLogP0.64
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-[2-(4-ethylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280740
N'-[2-[2-(4-iodophenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2280836
N'-[2-(4-methoxyphenoxy)ethyl]hexane-1,6-diamine
CID 83960627
N-(2-methoxyethyl)-3-(4-methoxyphenoxy)propan-1-amine
CID 60683313
N-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]propan-2-amine
CID 2280828
N-[2-[2-(4-ethoxyphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine
CID 2923613
3-methoxy-N-[2-[2-(4-methylphenoxy)ethoxy]ethyl]propan-1-amine
CID 2869969
N'-[2-(3-methoxyphenoxy)ethyl]ethane-1,2-diamine
CID 82339456
3-iodo-N-[2-(4-methoxyphenoxy)ethyl]propan-1-amine
CID 114503775
8-(4-methoxyphenoxy)octan-1-amine
CID 90318886
1-[2-(2-hexoxyethoxy)ethoxy]-4-methoxybenzene
CID 58828240
4-(4-methoxyphenoxy)-N-propylbutan-1-amine
CID 55077097

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine (CID 2280947) is N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine is COc1ccc(OCCOCCNCCN)cc1.
What is the InChIKey of N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine?
The InChIKey is FVBPEYVITVXGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-16-12-2-4-13(5-3-12)18-11-10-17-9-8-15-7-6-14/h2-5,15H,6-11,14H2,1H3.
What are the key properties of N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine?
N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine has a molecular weight of 254.33 g/mol, XLogP of 0.64, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(4-methoxyphenoxy)ethoxy]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 2280947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).