N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine

C15H25NO — CID 79627245

IUPACN-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COc1ccccc1CC
InChIInChI=1S/C15H25NO/c1-5-13-9-7-8-10-14(13)17-12-15(3,4)11-16-6-2/h7-10,16H,5-6,11-12H2,1-4H3
InChIKeyJCYZILUORQNART-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.26
Rot. Bonds7

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

N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine (PubChem CID 79627245) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine
PubChem CID79627245
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine
SMILESCCNCC(C)(C)COc1ccccc1CC
InChIInChI=1S/C15H25NO/c1-5-13-9-7-8-10-14(13)17-12-15(3,4)11-16-6-2/h7-10,16H,5-6,11-12H2,1-4H3
InChIKeyJCYZILUORQNART-UHFFFAOYSA-N
XLogP3.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.26
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-tert-butylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79628769
N-ethyl-2,2-dimethyl-3-naphthalen-1-yloxypropan-1-amine
CID 79626722
N-ethyl-2,2-dimethyl-3-(2-methylsulfanylphenoxy)propan-1-amine
CID 79627608
N-ethyl-3-(2-methoxyphenyl)-2,2-dimethylpropan-1-amine
CID 62724934
3-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627540
3-(2-ethylphenoxy)-2,2-dimethylpropanehydrazide
CID 79626636
3-(2,5-dimethylphenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 79627041
3-(2-methoxyphenoxy)-2,2-dimethyl-N-propylpropan-1-amine
CID 79628432
3-(2-chloro-5-fluorophenoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 114264333
N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]ethanamine
CID 43277259
N-ethyl-3-(3-ethylphenoxy)-2,2-dimethylpropan-1-amine
CID 79627888

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine?
The IUPAC name of N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine (CID 79627245) is N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine is CCNCC(C)(C)COc1ccccc1CC.
What is the InChIKey of N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine?
The InChIKey is JCYZILUORQNART-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-13-9-7-8-10-14(13)17-12-15(3,4)11-16-6-2/h7-10,16H,5-6,11-12H2,1-4H3.
What are the key properties of N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine?
N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(2-ethylphenoxy)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 79627245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).