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

C16H27NO — CID 116721183

IUPAC1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine
SMILESCCOC(C(C)C)C(NC)c1cc(C)ccc1C
InChIInChI=1S/C16H27NO/c1-7-18-16(11(2)3)15(17-6)14-10-12(4)8-9-13(14)5/h8-11,15-17H,7H2,1-6H3
InChIKeyJDWORCJZUGAAGV-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.63
Rot. Bonds6

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

1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine (PubChem CID 116721183) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine
PubChem CID116721183
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine
SMILESCCOC(C(C)C)C(NC)c1cc(C)ccc1C
InChIInChI=1S/C16H27NO/c1-7-18-16(11(2)3)15(17-6)14-10-12(4)8-9-13(14)5/h8-11,15-17H,7H2,1-6H3
InChIKeyJDWORCJZUGAAGV-UHFFFAOYSA-N
XLogP3.63
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721709
2-ethoxy-1-(2-methoxyphenyl)-N,3-dimethylbutan-1-amine
CID 116721106
2-ethoxy-1-(2-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 116721271
2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 116721056
1-(2,5-dimethylphenyl)-2-ethoxy-3,3-dimethylbutan-1-amine
CID 116725300
1-(2,5-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116718069
1-(2,5-dimethylphenyl)-N-methylpropan-1-amine
CID 43483756
2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116721090
2-ethoxy-1-isoquinolin-8-yl-N,3-dimethylbutan-1-amine
CID 103143806
2-ethoxy-1-(2-methoxy-5-methylphenyl)-N,3,3-trimethylbutan-1-amine
CID 116725452
1-(3,4-dimethylphenyl)-3-ethoxy-N,4-dimethylpentan-2-amine
CID 116721264
[1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-3-methylbutyl]hydrazine
CID 107516521

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine (CID 116721183) is 1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine is CCOC(C(C)C)C(NC)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine?
The InChIKey is JDWORCJZUGAAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-7-18-16(11(2)3)15(17-6)14-10-12(4)8-9-13(14)5/h8-11,15-17H,7H2,1-6H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine?
1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.63, 6 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-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 116721183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).