2-(4-chloro-3-methylphenoxy)ethyl-diethylazanium

C13H21ClNO+ — CID 6940496

IUPAC2-(4-chloro-3-methylphenoxy)ethyl-diethylazanium
SMILESCC[NH+](CC)CCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C13H20ClNO/c1-4-15(5-2)8-9-16-12-6-7-13(14)11(3)10-12/h6-7,10H,4-5,8-9H2,1-3H3/p+1
InChIKeySTYIEKIYERBNHM-UHFFFAOYSA-O
MW242.77 g/mol
LogP1.95
Rot. Bonds6

About 2-(4-chloro-3-methylphenoxy)ethyl-diethylazanium

2-(4-chloro-3-methylphenoxy)ethyl-diethylazanium (PubChem CID 6940496) has the molecular formula C13H21ClNO+ and a molecular weight of 242.77 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)ethyl-diethylazanium.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)ethyl-diethylazanium
PubChem CID6940496
Molecular FormulaC13H21ClNO+
Molecular Weight242.77 g/mol
Exact Mass242.13
IUPAC Name2-(4-chloro-3-methylphenoxy)ethyl-diethylazanium
SMILESCC[NH+](CC)CCOc1ccc(Cl)c(C)c1
InChIInChI=1S/C13H20ClNO/c1-4-15(5-2)8-9-16-12-6-7-13(14)11(3)10-12/h6-7,10H,4-5,8-9H2,1-3H3/p+1
InChIKeySTYIEKIYERBNHM-UHFFFAOYSA-O
XLogP1.95
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-(5-chloropentoxy)-2-methylbenzene
CID 43168547
4-[2-(4-chloro-3-methylphenoxy)ethoxy]-2-methylaniline
CID 39399817
ethyl 3-(4-chloro-3-methylphenoxy)propanoate
CID 43174157
1-chloro-4-[4-(4-chloro-3-methylphenoxy)but-2-enoxy]-2-methylbenzene
CID 3397879
4-[3-(4-chloro-3-methylphenoxy)propoxy]benzonitrile
CID 43289616
4-[2-(4-chloro-3-methylphenoxy)ethoxy]benzenecarbothioamide
CID 20988326
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2,4,6-trimethylaniline
CID 54796627
2-[2-(4-chloro-3-methylphenoxy)ethylamino]butan-1-ol
CID 68629028
1-[4-(4-chloro-3-methylphenoxy)butyl]piperidin-1-ium
CID 2262981
2-(4-acetyl-3-hydroxyphenoxy)ethyl-diethylazanium chloride
CID 24382
3-(4-chloro-3-methylphenoxy)-5-propoxyaniline
CID 80749221
5-[2-(3,4-dichlorophenoxy)ethyl]hexadecyl-diethylazanium bromide
CID 170555298

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)ethyl-diethylazanium?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)ethyl-diethylazanium (CID 6940496) is 2-(4-chloro-3-methylphenoxy)ethyl-diethylazanium.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)ethyl-diethylazanium?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)ethyl-diethylazanium is CC[NH+](CC)CCOc1ccc(Cl)c(C)c1.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)ethyl-diethylazanium?
The InChIKey is STYIEKIYERBNHM-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H20ClNO/c1-4-15(5-2)8-9-16-12-6-7-13(14)11(3)10-12/h6-7,10H,4-5,8-9H2,1-3H3/p+1.
What are the key properties of 2-(4-chloro-3-methylphenoxy)ethyl-diethylazanium?
2-(4-chloro-3-methylphenoxy)ethyl-diethylazanium has a molecular weight of 242.77 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)ethyl-diethylazanium is sourced from PubChem (CID 6940496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).