N-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine

C18H31NO — CID 63474567

IUPACN-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(COC(C)(C)CC)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-7-18(5,6)20-13-17(19-8-2)16-11-9-15(10-12-16)14(3)4/h9-12,14,17,19H,7-8,13H2,1-6H3
InChIKeyZCOWCEJPWAYFNG-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.67
Rot. Bonds8

About N-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine

N-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine (PubChem CID 63474567) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine
PubChem CID63474567
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine
SMILESCCNC(COC(C)(C)CC)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H31NO/c1-7-18(5,6)20-13-17(19-8-2)16-11-9-15(10-12-16)14(3)4/h9-12,14,17,19H,7-8,13H2,1-6H3
InChIKeyZCOWCEJPWAYFNG-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 43127773
N-ethyl-1-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 105087874
N-ethyl-2-(3-methylbutoxy)-1-(4-propan-2-ylphenyl)ethanamine
CID 63473833
N,3-diethyl-1-(4-propan-2-ylphenyl)pentan-1-amine
CID 82920734
1-(2-methylbutan-2-yloxy)-4-propan-2-ylbenzene
CID 118631923
N-ethyl-1-(4-propan-2-ylphenyl)but-3-en-1-amine
CID 61380125
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine
CID 103149707
N-ethyl-1-(4-propan-2-ylphenyl)-3-propoxypropan-1-amine
CID 105144803
2-(3,3-dimethylbutoxy)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 66233587
N-ethyl-1-(4-methylphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66277173
N-ethyl-1-(4-iodophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844176
N-ethyl-2-methyl-2-(4-propan-2-ylphenoxy)butan-1-amine
CID 62353237

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine (CID 63474567) is N-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine is CCNC(COC(C)(C)CC)c1ccc(C(C)C)cc1.
What is the InChIKey of N-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine?
The InChIKey is ZCOWCEJPWAYFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-7-18(5,6)20-13-17(19-8-2)16-11-9-15(10-12-16)14(3)4/h9-12,14,17,19H,7-8,13H2,1-6H3.
What are the key properties of N-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine?
N-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine has a molecular weight of 277.45 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methylbutan-2-yloxy)-1-(4-propan-2-ylphenyl)ethanamine is sourced from PubChem (CID 63474567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).