2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine

C16H27NO — CID 116758813

IUPAC2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine
SMILESCCOC(C)(CC)C(NC)c1ccc(CC)cc1
InChIInChI=1S/C16H27NO/c1-6-13-9-11-14(12-10-13)15(17-5)16(4,7-2)18-8-3/h9-12,15,17H,6-8H2,1-5H3
InChIKeyBJTKPCKLGOFJII-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.71
Rot. Bonds7

About 2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine

2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine (PubChem CID 116758813) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine
PubChem CID116758813
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine
SMILESCCOC(C)(CC)C(NC)c1ccc(CC)cc1
InChIInChI=1S/C16H27NO/c1-6-13-9-11-14(12-10-13)15(17-5)16(4,7-2)18-8-3/h9-12,15,17H,6-8H2,1-5H3
InChIKeyBJTKPCKLGOFJII-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-N,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116758763
2-ethoxy-1-(3-fluoro-5-methylphenyl)-N,2-dimethylbutan-1-amine
CID 116758965
1-(4-ethylphenyl)-2,2,3,3,3-pentafluoro-N-methylpropan-1-amine
CID 43484643
[2-ethoxy-1-(4-fluorophenyl)-2-methylbutyl]hydrazine
CID 105274791
2-ethoxy-N,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 116758712
1-(4-ethylphenyl)-2-methoxy-2-methyl-N-propylbutan-1-amine
CID 116758237
2-ethoxy-N,2-dimethyl-1-(3-methylthiophen-2-yl)butan-1-amine
CID 116758863
(4-ethylphenyl)-(methylamino)methanethiol
CID 116954449
1-(4-ethylphenyl)-N,2-dimethyl-2-piperidin-1-ylbutan-1-amine
CID 79060651
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine
CID 116758744
1-(4-bromophenyl)-3-ethoxy-N,3-dimethylpentan-2-amine
CID 116758899
2-ethoxy-1-(2-fluoro-3-methoxyphenyl)-N,2-dimethylbutan-1-amine
CID 116758925

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine?
The IUPAC name of 2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine (CID 116758813) is 2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine?
The canonical SMILES for 2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine is CCOC(C)(CC)C(NC)c1ccc(CC)cc1.
What is the InChIKey of 2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine?
The InChIKey is BJTKPCKLGOFJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-13-9-11-14(12-10-13)15(17-5)16(4,7-2)18-8-3/h9-12,15,17H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine?
2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-(4-ethylphenyl)-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 116758813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).