N-ethyl-2-pentan-2-yloxy-1-phenylethanamine

C15H25NO — CID 102981222

IUPACN-ethyl-2-pentan-2-yloxy-1-phenylethanamine
SMILESCCCC(C)OCC(NCC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-4-9-13(3)17-12-15(16-5-2)14-10-7-6-8-11-14/h6-8,10-11,13,15-16H,4-5,9,12H2,1-3H3
InChIKeyRWNYEUKCMOHHJJ-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.54
Rot. Bonds8

About N-ethyl-2-pentan-2-yloxy-1-phenylethanamine

N-ethyl-2-pentan-2-yloxy-1-phenylethanamine (PubChem CID 102981222) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-2-pentan-2-yloxy-1-phenylethanamine.

Molecular Properties

Compound NameN-ethyl-2-pentan-2-yloxy-1-phenylethanamine
PubChem CID102981222
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-ethyl-2-pentan-2-yloxy-1-phenylethanamine
SMILESCCCC(C)OCC(NCC)c1ccccc1
InChIInChI=1S/C15H25NO/c1-4-9-13(3)17-12-15(16-5-2)14-10-7-6-8-11-14/h6-8,10-11,13,15-16H,4-5,9,12H2,1-3H3
InChIKeyRWNYEUKCMOHHJJ-UHFFFAOYSA-N
XLogP3.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-ethoxyphenyl)-2-pentan-2-yloxyethyl]propan-1-amine
CID 102981170
N-ethyl-2-heptoxy-1-phenylethanamine
CID 63475443
1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine
CID 102981309
3-butoxy-N-ethyl-1-phenylpropan-1-amine
CID 115002192
4-butoxy-N-ethyl-1-phenylbutan-1-amine
CID 54956660
N-ethyl-2-propan-2-yloxy-1-(3-propylphenyl)ethanamine
CID 105188000
2-pentan-2-yloxy-1-(4-phenylphenyl)ethanol
CID 102983372
[(1R)-1-[(2S)-pentan-2-yl]oxyethyl]benzene
CID 139248421
1-phenyl-N-propan-2-ylbutan-1-amine
CID 43177244
N-ethyl-1-(3-fluorophenyl)-2-propan-2-yloxyethanamine
CID 79573891
2-(2-cyclopropylethoxy)-N-ethyl-1-phenylethanamine
CID 106200509
N-ethyl-2-[3-(2-methoxyethoxy)propoxy]-1-phenylethanamine
CID 103401642

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-pentan-2-yloxy-1-phenylethanamine?
The IUPAC name of N-ethyl-2-pentan-2-yloxy-1-phenylethanamine (CID 102981222) is N-ethyl-2-pentan-2-yloxy-1-phenylethanamine.
What is the SMILES notation for N-ethyl-2-pentan-2-yloxy-1-phenylethanamine?
The canonical SMILES for N-ethyl-2-pentan-2-yloxy-1-phenylethanamine is CCCC(C)OCC(NCC)c1ccccc1.
What is the InChIKey of N-ethyl-2-pentan-2-yloxy-1-phenylethanamine?
The InChIKey is RWNYEUKCMOHHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-4-9-13(3)17-12-15(16-5-2)14-10-7-6-8-11-14/h6-8,10-11,13,15-16H,4-5,9,12H2,1-3H3.
What are the key properties of N-ethyl-2-pentan-2-yloxy-1-phenylethanamine?
N-ethyl-2-pentan-2-yloxy-1-phenylethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-pentan-2-yloxy-1-phenylethanamine is sourced from PubChem (CID 102981222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).