2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide

C14H24BrNO — CID 3052735

IUPAC2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide
SMILESBr.CCN(CC)CCOc1c(C)cccc1C
InChIInChI=1S/C14H23NO.BrH/c1-5-15(6-2)10-11-16-14-12(3)8-7-9-13(14)4;/h7-9H,5-6,10-11H2,1-4H3;1H
InChIKeyWBMWBAHVWUPEMZ-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.60
Rot. Bonds6

About 2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide

2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide (PubChem CID 3052735) has the molecular formula C14H24BrNO and a molecular weight of 302.26 g/mol. Its IUPAC name is 2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide.

Molecular Properties

Compound Name2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide
PubChem CID3052735
Molecular FormulaC14H24BrNO
Molecular Weight302.26 g/mol
Exact Mass301.10
IUPAC Name2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide
SMILESBr.CCN(CC)CCOc1c(C)cccc1C
InChIInChI=1S/C14H23NO.BrH/c1-5-15(6-2)10-11-16-14-12(3)8-7-9-13(14)4;/h7-9H,5-6,10-11H2,1-4H3;1H
InChIKeyWBMWBAHVWUPEMZ-UHFFFAOYSA-N
XLogP3.60
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-N-ethylbutan-1-amine
CID 3039002
N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine
CID 2848079
5-bromo-N-[2-(2,6-dimethylphenoxy)ethyl]-N-ethylpentan-1-amine;oxalic acid
CID 3039007
1,3-dimethyl-2-propoxybenzene
CID 579040
2-[2,3-bis[2-(diethylamino)ethoxy]phenoxy]-N,N-diethylethanamine;iodoethane
CID 22114543
ethane;2-ethoxy-1,3-dimethylbenzene
CID 91163284
N-[2-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 134464806
2-decoxy-1,3-dimethylbenzene
CID 83057478
[2-[2-(diethylamino)ethoxy]phenyl]boronic acid
CID 43145279
(E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one
CID 14695989
2-[2-(aminomethyl)-6-chlorophenoxy]-N,N-diethylethanamine
CID 112607689
N,N-diethyl-2-[2-(2-methylphenoxy)ethoxy]ethanamine
CID 31196232

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide?
The IUPAC name of 2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide (CID 3052735) is 2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide.
What is the SMILES notation for 2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide?
The canonical SMILES for 2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide is Br.CCN(CC)CCOc1c(C)cccc1C.
What is the InChIKey of 2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide?
The InChIKey is WBMWBAHVWUPEMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO.BrH/c1-5-15(6-2)10-11-16-14-12(3)8-7-9-13(14)4;/h7-9H,5-6,10-11H2,1-4H3;1H.
What are the key properties of 2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide?
2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide has a molecular weight of 302.26 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide is sourced from PubChem (CID 3052735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).