1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine

C16H27NO — CID 116725300

IUPAC1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
SMILESCCOC(C(N)c1cc(C)ccc1C)C(C)(C)C
InChIInChI=1S/C16H27NO/c1-7-18-15(16(4,5)6)14(17)13-10-11(2)8-9-12(13)3/h8-10,14-15H,7,17H2,1-6H3
InChIKeyIOYDSEVFVQFVKZ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.75
Rot. Bonds4

About 1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine

1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine (PubChem CID 116725300) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
PubChem CID116725300
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
SMILESCCOC(C(N)c1cc(C)ccc1C)C(C)(C)C
InChIInChI=1S/C16H27NO/c1-7-18-15(16(4,5)6)14(17)13-10-11(2)8-9-12(13)3/h8-10,14-15H,7,17H2,1-6H3
InChIKeyIOYDSEVFVQFVKZ-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-2-methoxybutan-1-amine
CID 116715174
1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine
CID 116721183
2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine
CID 116725452
1-(5-fluoro-2-methylphenyl)-2-methoxy-3,3-dimethylbutan-1-amine
CID 116724075
2-(1-bromo-2,2-dimethylpropyl)-1,4-dimethylbenzene
CID 63442067
bromo-(2,5-dimethylphenyl)methanamine
CID 116947555
ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate
CID 79366785
1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721709
1-(2-cyclobutylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 114604774
2-(1-bromo-2,2-dimethylbutyl)-1,4-dimethylbenzene
CID 63442120
1-(2,5-dimethylphenyl)-2,2-dimethylpropane-1,3-diamine
CID 116933361
[2-ethoxy-3,3-dimethyl-1-(2-methylphenyl)butyl]hydrazine
CID 105273631

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine (CID 116725300) is 1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine is CCOC(C(N)c1cc(C)ccc1C)C(C)(C)C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine?
The InChIKey is IOYDSEVFVQFVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-7-18-15(16(4,5)6)14(17)13-10-11(2)8-9-12(13)3/h8-10,14-15H,7,17H2,1-6H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine?
1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 116725300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).