N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine

C15H25NO — CID 2848079

IUPACN,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine
SMILESCCN(CC)CCOc1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO/c1-6-16(7-2)8-9-17-15-13(4)10-12(3)11-14(15)5/h10-11H,6-9H2,1-5H3
InChIKeyPXBXFMYMLDAWMU-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.33
Rot. Bonds6

About N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine

N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine (PubChem CID 2848079) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine
PubChem CID2848079
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine
SMILESCCN(CC)CCOc1c(C)cc(C)cc1C
InChIInChI=1S/C15H25NO/c1-6-16(7-2)8-9-17-15-13(4)10-12(3)11-14(15)5/h10-11H,6-9H2,1-5H3
InChIKeyPXBXFMYMLDAWMU-UHFFFAOYSA-N
XLogP3.33
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,6-dimethylphenoxy)-N,N-diethylethanamine;hydrobromide
CID 3052735
N-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine
CID 894966
3-(4-chloro-2,6-dimethylphenoxy)-N,N-diethylpropan-1-amine
CID 2249602
2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-N,N-diethylethanamine
CID 2245338
ethane;2-hexoxy-1,3,5-trimethylbenzene
CID 143283157
2-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-1-(4-methoxyphenyl)ethanone
CID 19895394
4-chloro-N-[2-(2,6-dimethylphenoxy)ethyl]-N-ethylbutan-1-amine
CID 3039002
(E)-1-[4-[2-(diethylamino)ethoxy]-3,5-dimethylphenyl]-3-(2-methylphenyl)prop-2-en-1-one
CID 14695989
1-[4-[3-(diethylamino)propoxy]-3,5-dimethylphenyl]-3,3-diphenylpropan-1-one
CID 21331744
2,2-diethyl-4-(2,4,6-trimethylphenoxy)butanenitrile
CID 82138707
4-(2,4-dimethylphenoxy)-N,N-diethylbutan-1-amine
CID 2057942
N,N-diethyl-2-[[5,11,17,23-tetratert-butyl-26,27,28-tris[2-(diethylamino)ethoxy]-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]ethanamine
CID 15791506

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine?
The IUPAC name of N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine (CID 2848079) is N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine?
The canonical SMILES for N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine is CCN(CC)CCOc1c(C)cc(C)cc1C.
What is the InChIKey of N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine?
The InChIKey is PXBXFMYMLDAWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-16(7-2)8-9-17-15-13(4)10-12(3)11-14(15)5/h10-11H,6-9H2,1-5H3.
What are the key properties of N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine?
N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2,4,6-trimethylphenoxy)ethanamine is sourced from PubChem (CID 2848079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).