2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine

C23H33NO2 — CID 17800

IUPAC2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine
SMILESCc1cccc(C)c1C(OCCOCCN(C)C)c1c(C)cccc1C
InChIInChI=1S/C23H33NO2/c1-17-9-7-10-18(2)21(17)23(22-19(3)11-8-12-20(22)4)26-16-15-25-14-13-24(5)6/h7-12,23H,13-16H2,1-6H3
InChIKeyKLOZENAJUCRQKD-UHFFFAOYSA-N
MW355.52 g/mol
LogP4.60
Rot. Bonds9

About 2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine

2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine (PubChem CID 17800) has the molecular formula C23H33NO2 and a molecular weight of 355.52 g/mol. Its IUPAC name is 2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine
PubChem CID17800
Molecular FormulaC23H33NO2
Molecular Weight355.52 g/mol
Exact Mass355.25
IUPAC Name2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine
SMILESCc1cccc(C)c1C(OCCOCCN(C)C)c1c(C)cccc1C
InChIInChI=1S/C23H33NO2/c1-17-9-7-10-18(2)21(17)23(22-19(3)11-8-12-20(22)4)26-16-15-25-14-13-24(5)6/h7-12,23H,13-16H2,1-6H3
InChIKeyKLOZENAJUCRQKD-UHFFFAOYSA-N
XLogP4.60
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.52
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 3100
Diphenhydramine Hydrochloride
CID 8980
Orphenadrine
CID 4601
Orphenadrine Hydrochloride
CID 9568
Tofenacin
CID 25315
Emetonium iodide
CID 80084
Ethanamine, N-methyl-2-((2-methylphenyl)phenylmethoxy)-, hydrochloride (1:1)
CID 23725051
N,N-Dimethyl-2-[(S)-(4-methylphenyl)phenylmethoxy]ethanamine
CID 11437142
Ethanaminium, 2-(diphenylmethoxy)-N,N,N-trimethyl-, bromide (1:1)
CID 10405586
Moxastine
CID 19142
Ethylamine, N,N-diethyl-2-(phenyl-(p-tolyl)methoxy)-, hydrochloride
CID 103792
Ethylbenzhydramine
CID 12552

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine (CID 17800) is 2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine is Cc1cccc(C)c1C(OCCOCCN(C)C)c1c(C)cccc1C.
What is the InChIKey of 2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine?
The InChIKey is KLOZENAJUCRQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO2/c1-17-9-7-10-18(2)21(17)23(22-19(3)11-8-12-20(22)4)26-16-15-25-14-13-24(5)6/h7-12,23H,13-16H2,1-6H3.
What are the key properties of 2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine?
2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine has a molecular weight of 355.52 g/mol, XLogP of 4.60, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(2,6-dimethylphenyl)methoxy]ethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 17800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).