2-[methyl-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]amino]ethanol

C16H27NO3 — CID 2276636

IUPAC2-[methyl-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]amino]ethanol
SMILESCc1ccc(C)c(OCCOCCN(C)CCO)c1C
InChIInChI=1S/C16H27NO3/c1-13-5-6-14(2)16(15(13)3)20-12-11-19-10-8-17(4)7-9-18/h5-6,18H,7-12H2,1-4H3
InChIKeyKKGZUAOSVLQWOO-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.93
Rot. Bonds9

About 2-[methyl-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]amino]ethanol

2-[methyl-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]amino]ethanol (PubChem CID 2276636) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[methyl-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[methyl-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]amino]ethanol
PubChem CID2276636
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC Name2-[methyl-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]amino]ethanol
SMILESCc1ccc(C)c(OCCOCCN(C)CCO)c1C
InChIInChI=1S/C16H27NO3/c1-13-5-6-14(2)16(15(13)3)20-12-11-19-10-8-17(4)7-9-18/h5-6,18H,7-12H2,1-4H3
InChIKeyKKGZUAOSVLQWOO-UHFFFAOYSA-N
XLogP1.93
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2,6-dimethylphenoxy)propyl-methylamino]ethanol
CID 111121773
1-[2-(dimethylamino)ethyl]-3-[2-(2,3,6-trimethylphenoxy)ethyl]urea
CID 112974258
2-(3-bromopropoxy)-1,3,4-trimethylbenzene
CID 43345569
2-(2-hydroxyethoxy)-3,6-dimethylphenol
CID 130131096
2-(3-amino-2,6-dimethylphenoxy)ethanol
CID 62018329
N-[2-[2-[2-(2,6-dimethylphenoxy)ethoxy]ethoxy]ethyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 134464806
2-[methyl-[3-(2-methylphenoxy)propyl]amino]ethanol
CID 110908229
2-[methyl-[2-(2-quinoxalin-6-ylethoxy)ethyl]amino]ethanol
CID 22666265
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 89226278
2-[2-(dimethylsulfamoylamino)ethoxy]-1,3,4-trimethylbenzene
CID 113101153
2-butoxy-N-[2-(2,3,6-trimethylphenoxy)ethyl]ethanamine
CID 62597704
2-[2-[2-(4-aminophenoxy)ethyl-methylamino]ethoxy]ethanol
CID 114243002

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]amino]ethanol?
The IUPAC name of 2-[methyl-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]amino]ethanol (CID 2276636) is 2-[methyl-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]amino]ethanol.
What is the SMILES notation for 2-[methyl-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]amino]ethanol?
The canonical SMILES for 2-[methyl-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]amino]ethanol is Cc1ccc(C)c(OCCOCCN(C)CCO)c1C.
What is the InChIKey of 2-[methyl-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]amino]ethanol?
The InChIKey is KKGZUAOSVLQWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-13-5-6-14(2)16(15(13)3)20-12-11-19-10-8-17(4)7-9-18/h5-6,18H,7-12H2,1-4H3.
What are the key properties of 2-[methyl-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]amino]ethanol?
2-[methyl-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]amino]ethanol has a molecular weight of 281.40 g/mol, XLogP of 1.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]ethyl]amino]ethanol is sourced from PubChem (CID 2276636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).