2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine

C16H27NO — CID 116759979

IUPAC2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine
SMILESCCOC(CC)(CC)C(NC)c1ccccc1C
InChIInChI=1S/C16H27NO/c1-6-16(7-2,18-8-3)15(17-5)14-12-10-9-11-13(14)4/h9-12,15,17H,6-8H2,1-5H3
InChIKeyBKMVWGRYSLVQOJ-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.85
Rot. Bonds7

About 2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine

2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine (PubChem CID 116759979) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine
PubChem CID116759979
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine
SMILESCCOC(CC)(CC)C(NC)c1ccccc1C
InChIInChI=1S/C16H27NO/c1-6-16(7-2,18-8-3)15(17-5)14-12-10-9-11-13(14)4/h9-12,15,17H,6-8H2,1-5H3
InChIKeyBKMVWGRYSLVQOJ-UHFFFAOYSA-N
XLogP3.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine
CID 116759826
2-methoxy-N,2-dimethyl-1-(2-methylphenyl)butan-1-amine
CID 116757756
2-ethoxy-2-ethyl-N-methyl-1-quinolin-8-ylbutan-1-amine
CID 116759944
1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-propylbutan-1-amine
CID 116760306
2-ethoxy-1-(3-ethoxyphenyl)-2-ethyl-N-methylbutan-1-amine
CID 116759943
2-ethoxy-2-methyl-1-(2-methylphenyl)butan-1-amine
CID 116758612
2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine
CID 116760420
[2,2-dimethyl-1-(2-methylphenyl)butyl]hydrazine
CID 105286147
2-ethoxy-2-methyl-1-(2-methylphenyl)propan-1-ol
CID 116713777
2-ethyl-2-methoxy-N-methyl-1-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 116760777
3-ethoxy-3-ethyl-N-methyl-1-phenylpentan-2-amine
CID 116759829
2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine
CID 116759874

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine?
The IUPAC name of 2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine (CID 116759979) is 2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine?
The canonical SMILES for 2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine is CCOC(CC)(CC)C(NC)c1ccccc1C.
What is the InChIKey of 2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine?
The InChIKey is BKMVWGRYSLVQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-16(7-2,18-8-3)15(17-5)14-12-10-9-11-13(14)4/h9-12,15,17H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine?
2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine is sourced from PubChem (CID 116759979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).