2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine

C15H25NO — CID 166537892

IUPAC2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine
SMILESCCc1ccc(C(C)C)c(OCCN(C)C)c1
InChIInChI=1S/C15H25NO/c1-6-13-7-8-14(12(2)3)15(11-13)17-10-9-16(4)5/h7-8,11-12H,6,9-10H2,1-5H3
InChIKeyZSPHGLGMHUAFGL-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.31
Rot. Bonds6

About 2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine

2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine (PubChem CID 166537892) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine
PubChem CID166537892
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine
SMILESCCc1ccc(C(C)C)c(OCCN(C)C)c1
InChIInChI=1S/C15H25NO/c1-6-13-7-8-14(12(2)3)15(11-13)17-10-9-16(4)5/h7-8,11-12H,6,9-10H2,1-5H3
InChIKeyZSPHGLGMHUAFGL-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-ethyl-2-propan-2-ylphenoxy)acetic acid
CID 143022622
N-[[4-[2-(dimethylamino)ethoxy]-3-ethoxyphenyl]methyl]propan-2-amine
CID 43278203
(1R)-1-[2-[2-(dimethylamino)ethoxy]-4-fluorophenyl]ethanol
CID 63366014
1-[4-bromo-2-[2-(dimethylamino)ethoxy]phenyl]-N-methylethanamine
CID 82975510
2-methoxy-N-(2-methoxyethyl)-N-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]ethanamine
CID 5262022
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
4-[3-[2-(dimethylamino)ethoxy]-N-ethyl-4-propan-2-ylanilino]pyridine-3-carboxylic acid
CID 158732352
2-bromo-4-ethyl-1-propan-2-ylbenzene
CID 71164366
2-butan-2-yl-4-ethyl-1-propan-2-ylbenzene
CID 123761837
tris(4-ethyl-2-propan-2-ylphenyl) phosphite
CID 139909258
4-[3-(dimethylamino)propoxy]-2-methyl-5-propan-2-ylaniline
CID 114524620
(1S)-1-[2-[2-(dimethylamino)ethoxy]-5-methylphenyl]ethanamine
CID 78936500

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine?
The IUPAC name of 2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine (CID 166537892) is 2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine?
The canonical SMILES for 2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine is CCc1ccc(C(C)C)c(OCCN(C)C)c1.
What is the InChIKey of 2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine?
The InChIKey is ZSPHGLGMHUAFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-13-7-8-14(12(2)3)15(11-13)17-10-9-16(4)5/h7-8,11-12H,6,9-10H2,1-5H3.
What are the key properties of 2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine?
2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-propan-2-ylphenoxy)-N,N-dimethylethanamine is sourced from PubChem (CID 166537892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).