2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine

C18H31NO2 — CID 2182838

IUPAC2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine
SMILESCC(C)c1cccc(C(C)C)c1OCCOCCN(C)C
InChIInChI=1S/C18H31NO2/c1-14(2)16-8-7-9-17(15(3)4)18(16)21-13-12-20-11-10-19(5)6/h7-9,14-15H,10-13H2,1-6H3
InChIKeyFVNACQPRKDHVFC-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.89
Rot. Bonds9

About 2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine

2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine (PubChem CID 2182838) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine
PubChem CID2182838
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine
SMILESCC(C)c1cccc(C(C)C)c1OCCOCCN(C)C
InChIInChI=1S/C18H31NO2/c1-14(2)16-8-7-9-17(15(3)4)18(16)21-13-12-20-11-10-19(5)6/h7-9,14-15H,10-13H2,1-6H3
InChIKeyFVNACQPRKDHVFC-UHFFFAOYSA-N
XLogP3.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.89
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-methyl-6-propan-2-ylphenoxy)ethanamine
CID 20679121
1-[2,6-di(propan-2-yl)phenoxy]-N,N-dimethylmethanamine
CID 155456372
1,3-di(propan-2-yl)-2-propoxybenzene
CID 59277560
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
2-[2-[4-(aminomethyl)phenoxy]ethoxy]-N,N-dimethylethanamine
CID 62460192
2-[2-[2-(dimethylamino)ethoxy]ethoxy]-N,N-dimethylethanamine;ethane
CID 168987783
1-[2,6-di(propan-2-yl)phenoxy]propan-2-ol
CID 19774059
4-[2,6-di(propan-2-yl)phenoxy]butyl-diethylazanium
CID 2250093
2-[2-[2-(dimethylamino)ethoxy]ethoxy]pyridin-4-amine
CID 71200725
2-[2-(2-bromo-4,6-dimethylphenoxy)ethoxy]-N,N-dimethylethanamine
CID 2181881
1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone
CID 58858900
2-(3,3-diphenylpropoxy)-N,N-dimethylethanamine
CID 154143220

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine (CID 2182838) is 2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine is CC(C)c1cccc(C(C)C)c1OCCOCCN(C)C.
What is the InChIKey of 2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine?
The InChIKey is FVNACQPRKDHVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-14(2)16-8-7-9-17(15(3)4)18(16)21-13-12-20-11-10-19(5)6/h7-9,14-15H,10-13H2,1-6H3.
What are the key properties of 2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine?
2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine has a molecular weight of 293.45 g/mol, XLogP of 3.89, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2,6-di(propan-2-yl)phenoxy]ethoxy]-N,N-dimethylethanamine is sourced from PubChem (CID 2182838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).