2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine

C19H33NO2 — CID 134582807

IUPAC2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
SMILESCN(CCOc1ccc(C(C)(C)C)cc1)CCOC(C)(C)C
InChIInChI=1S/C19H33NO2/c1-18(2,3)16-8-10-17(11-9-16)21-14-12-20(7)13-15-22-19(4,5)6/h8-11H,12-15H2,1-7H3
InChIKeyUKFXKTFJEVRALB-UHFFFAOYSA-N
MW307.48 g/mol
LogP4.11
Rot. Bonds7

About 2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine

2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine (PubChem CID 134582807) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
PubChem CID134582807
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Name2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
SMILESCN(CCOc1ccc(C(C)(C)C)cc1)CCOC(C)(C)C
InChIInChI=1S/C19H33NO2/c1-18(2,3)16-8-10-17(11-9-16)21-14-12-20(7)13-15-22-19(4,5)6/h8-11H,12-15H2,1-7H3
InChIKeyUKFXKTFJEVRALB-UHFFFAOYSA-N
XLogP4.11
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-(4-methylphenoxy)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 47811404
N,N,2,3-tetramethyl-3-[4-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]ethyl]amino]ethoxy]phenyl]butan-2-amine
CID 135174908
2-(4-tert-butylphenoxy)-N,N-dimethylethanamine
CID 5261951
2-(4-tert-butylphenoxy)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106613622
4-(4-tert-butylphenoxy)-N,N-diethylbutan-1-amine
CID 2058010
1-bromo-4-[2-(4-tert-butylphenoxy)ethoxy]benzene
CID 60627963
1-tert-butyl-4-pent-4-ynoxybenzene
CID 19983623
3-(4-tert-butylphenoxy)-N,N-bis(2-methoxyethyl)propan-1-amine
CID 5262127
1-tert-butyl-4-(3-deuteriopropoxy)benzene
CID 177106772
1-[2-(4-methoxyphenoxy)ethyl-methylamino]-2-methylpropan-2-ol
CID 78927381
tert-butyl 2-[2-[2-[2-(4-ethoxyphenoxy)ethyl-methylamino]ethoxy]ethoxy]acetate
CID 135278255
4-[2-[methyl(propyl)amino]ethoxy]aniline
CID 43270784

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine (CID 134582807) is 2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine is CN(CCOc1ccc(C(C)(C)C)cc1)CCOC(C)(C)C.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
The InChIKey is UKFXKTFJEVRALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO2/c1-18(2,3)16-8-10-17(11-9-16)21-14-12-20(7)13-15-22-19(4,5)6/h8-11H,12-15H2,1-7H3.
What are the key properties of 2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine?
2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine has a molecular weight of 307.48 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-methyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine is sourced from PubChem (CID 134582807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).