2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine

C17H29NO2 — CID 2181239

IUPAC2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine
SMILESCc1cc(C(C)(C)C)ccc1OCCOCCN(C)C
InChIInChI=1S/C17H29NO2/c1-14-13-15(17(2,3)4)7-8-16(14)20-12-11-19-10-9-18(5)6/h7-8,13H,9-12H2,1-6H3
InChIKeyNFONARMHKBPZQE-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.25
Rot. Bonds7

About 2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine

2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine (PubChem CID 2181239) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine
PubChem CID2181239
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine
SMILESCc1cc(C(C)(C)C)ccc1OCCOCCN(C)C
InChIInChI=1S/C17H29NO2/c1-14-13-15(17(2,3)4)7-8-16(14)20-12-11-19-10-9-18(5)6/h7-8,13H,9-12H2,1-6H3
InChIKeyNFONARMHKBPZQE-UHFFFAOYSA-N
XLogP3.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.25
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

N,N-dimethyl-2-[2-[2-methyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]ethanamine
CID 3085515
4-tert-butyl-1-[2-(2-chloroethoxy)ethoxy]-2-methylbenzene
CID 63664014
1-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-4-methylpiperazine
CID 2298053
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl-(3-methoxypropyl)azanium
CID 2297274
2-(4-bromo-2-methylphenoxy)-N,N-dimethylethanamine
CID 20679125
4-tert-butyl-1-(5-chloropentoxy)-2-methylbenzene
CID 43351908
4-tert-butyl-1-but-3-ynoxy-2-methylbenzene
CID 55248880
N,N-dimethyl-2-[2-(4-methyl-2-prop-2-enylphenoxy)ethoxy]ethanamine
CID 2183688
1-[2-(4-tert-butyl-2-methylphenoxy)ethyl]piperidin-1-ium
CID 7381548
1-[2-(2,4-dimethylphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354127
N-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine;oxalic acid
CID 2922716
3-(4-iodo-2-methylphenoxy)-N,N-dimethylpropan-1-amine;hydrochloride
CID 6457208

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine (CID 2181239) is 2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine is Cc1cc(C(C)(C)C)ccc1OCCOCCN(C)C.
What is the InChIKey of 2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine?
The InChIKey is NFONARMHKBPZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-14-13-15(17(2,3)4)7-8-16(14)20-12-11-19-10-9-18(5)6/h7-8,13H,9-12H2,1-6H3.
What are the key properties of 2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine?
2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine has a molecular weight of 279.42 g/mol, XLogP of 3.25, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 2181239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).