1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine

C16H27NO — CID 116716830

IUPAC1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine
SMILESCCNC(c1cccc(C)c1C)C(CC)OCC
InChIInChI=1S/C16H27NO/c1-6-15(18-8-3)16(17-7-2)14-11-9-10-12(4)13(14)5/h9-11,15-17H,6-8H2,1-5H3
InChIKeyDUWPNAXHCPQFTK-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.77
Rot. Bonds7

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

1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine (PubChem CID 116716830) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine
PubChem CID116716830
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine
SMILESCCNC(c1cccc(C)c1C)C(CC)OCC
InChIInChI=1S/C16H27NO/c1-6-15(18-8-3)16(17-7-2)14-11-9-10-12(4)13(14)5/h9-11,15-17H,6-8H2,1-5H3
InChIKeyDUWPNAXHCPQFTK-UHFFFAOYSA-N
XLogP3.77
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 ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 116717972
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2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine
CID 116717002
2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 116717005
2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102833842
1-(1-ethoxyethyl)-2,3-dimethylbenzene
CID 19386638
1-(2,3-dimethylphenyl)-N-ethylhexan-1-amine
CID 115837078
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717024
2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine
CID 116716895
1-(2,3-dimethylphenyl)-N-ethyloctan-1-amine
CID 115832026
1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717031
1-(2,3-dimethylphenyl)-N-ethyl-N',N'-dimethylethane-1,2-diamine
CID 79092443

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine (CID 116716830) is 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine is CCNC(c1cccc(C)c1C)C(CC)OCC.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine?
The InChIKey is DUWPNAXHCPQFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-6-15(18-8-3)16(17-7-2)14-11-9-10-12(4)13(14)5/h9-11,15-17H,6-8H2,1-5H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine?
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine is sourced from PubChem (CID 116716830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).