3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine

C15H25NO — CID 79627041

IUPAC3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COc1cc(C)ccc1C
InChIInChI=1S/C15H25NO/c1-6-16-10-15(4,5)11-17-14-9-12(2)7-8-13(14)3/h7-9,16H,6,10-11H2,1-5H3
InChIKeyWJWPOZFIIOETEK-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.32
Rot. Bonds6

About 3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine

3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine (PubChem CID 79627041) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
PubChem CID79627041
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COc1cc(C)ccc1C
InChIInChI=1S/C15H25NO/c1-6-16-10-15(4,5)11-17-14-9-12(2)7-8-13(14)3/h7-9,16H,6,10-11H2,1-5H3
InChIKeyWJWPOZFIIOETEK-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2,2-dimethyl-3-(2-methylphenoxy)propan-1-amine
CID 79626871
3-(2,4-dimethylphenoxy)-2,2-dimethyl-N-propylpropan-1-amine
CID 79626216
2,2-dimethyl-N-propyl-3-(2,3,5-trimethylphenoxy)propan-1-amine
CID 79626726
1-(2,4-dimethylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 66336681
3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627540
N-[5-(2,5-dimethylphenoxy)-2,2-dimethylpentyl]hexadecan-1-amine
CID 54855433
1-(5-bromo-2-methylphenoxy)-3-(ethylamino)-2-methylpropan-2-ol
CID 107283637
N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627245
3-(2-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79628769
2,2-dimethyl-3-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)propan-1-amine
CID 79619901
ethyl 3-(2,5-dimethylphenoxy)-2,2-dimethylpropanoate
CID 146594255
3-(2-chloro-5-fluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 114264333

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine?
The IUPAC name of 3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine (CID 79627041) is 3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine?
The canonical SMILES for 3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine is CCNCC(C)(C)COc1cc(C)ccc1C.
What is the InChIKey of 3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine?
The InChIKey is WJWPOZFIIOETEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-6-16-10-15(4,5)11-17-14-9-12(2)7-8-13(14)3/h7-9,16H,6,10-11H2,1-5H3.
What are the key properties of 3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine?
3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79627041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).