N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine

C13H21ClN2O2 — CID 2276700

IUPACN'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
SMILESCc1ccc(Cl)c(OCCOCCNCCN)c1
InChIInChI=1S/C13H21ClN2O2/c1-11-2-3-12(14)13(10-11)18-9-8-17-7-6-16-5-4-15/h2-3,10,16H,4-9,15H2,1H3
InChIKeyUFCOQHUJXFIYFT-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.59
Rot. Bonds9

About N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine

N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine (PubChem CID 2276700) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
PubChem CID2276700
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC NameN'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
SMILESCc1ccc(Cl)c(OCCOCCNCCN)c1
InChIInChI=1S/C13H21ClN2O2/c1-11-2-3-12(14)13(10-11)18-9-8-17-7-6-16-5-4-15/h2-3,10,16H,4-9,15H2,1H3
InChIKeyUFCOQHUJXFIYFT-UHFFFAOYSA-N
XLogP1.59
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-ethoxypropan-1-amine
CID 55093300
N-[2-(2-chloro-5-methylphenoxy)ethyl]butan-1-amine
CID 27274455
2-[3-(2-chloro-5-methylphenoxy)propoxy]-N-methylethanamine
CID 82353992
2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethanol
CID 61075702
1-chloro-2-[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2285628
N-[2-(2-chloro-5-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 62599104
1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-4-methylbenzene
CID 2284223
N'-[2-[2-(4-bromo-2-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine
CID 2297466
N-[2-(2-chloro-5-methylphenoxy)ethyl]butan-1-amine;oxalic acid
CID 44782341
5-(2-chloro-5-methylphenoxy)-N-methylpentan-1-amine
CID 62485519
N-[3-(2-chloro-5-methylphenoxy)propyl]-2-methylpropan-1-amine
CID 55211278
2-[2-(2-chloro-5-methylphenoxy)ethoxy]-5-methylaniline
CID 39399728

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine?
The IUPAC name of N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine (CID 2276700) is N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine?
The canonical SMILES for N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine is Cc1ccc(Cl)c(OCCOCCNCCN)c1.
What is the InChIKey of N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine?
The InChIKey is UFCOQHUJXFIYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-11-2-3-12(14)13(10-11)18-9-8-17-7-6-16-5-4-15/h2-3,10,16H,4-9,15H2,1H3.
What are the key properties of N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine?
N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine has a molecular weight of 272.78 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-(2-chloro-5-methylphenoxy)ethoxy]ethyl]ethane-1,2-diamine is sourced from PubChem (CID 2276700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).