1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine

C17H29NO — CID 102981309

IUPAC1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine
SMILESCCCC(C)OCC(NCC)c1cc(C)ccc1C
InChIInChI=1S/C17H29NO/c1-6-8-15(5)19-12-17(18-7-2)16-11-13(3)9-10-14(16)4/h9-11,15,17-18H,6-8,12H2,1-5H3
InChIKeyJVLLTSRHDDYCQJ-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.16
Rot. Bonds8

About 1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine

1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine (PubChem CID 102981309) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine
PubChem CID102981309
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine
SMILESCCCC(C)OCC(NCC)c1cc(C)ccc1C
InChIInChI=1S/C17H29NO/c1-6-8-15(5)19-12-17(18-7-2)16-11-13(3)9-10-14(16)4/h9-11,15,17-18H,6-8,12H2,1-5H3
InChIKeyJVLLTSRHDDYCQJ-UHFFFAOYSA-N
XLogP4.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 43490798
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447347
1-(2,5-dimethylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105120236
1-(2,5-dimethylphenyl)-N-ethylpropan-1-amine
CID 43490783
1-(2,5-dimethylphenyl)-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]ethanamine
CID 104560875
1-(2-chloro-4-methylphenyl)-N-ethyl-2-propan-2-yloxyethanamine
CID 106858183
1-(2,5-dimethylphenyl)-4-methoxy-N-propylpentan-1-amine
CID 105120183
1-(2,5-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718069
N-ethyl-2-pentan-2-yloxy-1-phenylethanamine
CID 102981222
1-(2,5-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614076
1-(2,4-dimethylphenyl)-N-ethyl-4-methoxypentan-1-amine
CID 105145249
ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate
CID 65233713

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine (CID 102981309) is 1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine is CCCC(C)OCC(NCC)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine?
The InChIKey is JVLLTSRHDDYCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-6-8-15(5)19-12-17(18-7-2)16-11-13(3)9-10-14(16)4/h9-11,15,17-18H,6-8,12H2,1-5H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine?
1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine has a molecular weight of 263.42 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-ethyl-2-pentan-2-yloxyethanamine is sourced from PubChem (CID 102981309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).