1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine

C16H25F2NO — CID 116759031

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(c1c(F)ccc(C)c1F)C(C)(CC)OCC
InChIInChI=1S/C16H25F2NO/c1-6-16(5,20-8-3)15(19-7-2)13-12(17)10-9-11(4)14(13)18/h9-10,15,19H,6-8H2,1-5H3
InChIKeyNIVDSOAQFBRYNG-UHFFFAOYSA-N
MW285.38 g/mol
LogP4.13
Rot. Bonds7

About 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine

1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine (PubChem CID 116759031) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
PubChem CID116759031
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
SMILESCCNC(c1c(F)ccc(C)c1F)C(C)(CC)OCC
InChIInChI=1S/C16H25F2NO/c1-6-16(5,20-8-3)15(19-7-2)13-12(17)10-9-11(4)14(13)18/h9-10,15,19H,6-8H2,1-5H3
InChIKeyNIVDSOAQFBRYNG-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine
CID 116758744
1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759422
1-(2,6-difluoro-3-methylphenyl)-2-methoxy-N,2-dimethylbutan-1-amine
CID 116757600
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 103433948
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-2-ethylbutan-1-ol
CID 116752405
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717024
2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine
CID 116759180
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 82823040
1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
CID 82823122
1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759210
N-[(2,6-difluoro-3-methylphenyl)-pyrimidin-2-ylmethyl]ethanamine
CID 82822460
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 82822293

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine (CID 116759031) is 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine is CCNC(c1c(F)ccc(C)c1F)C(C)(CC)OCC.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine?
The InChIKey is NIVDSOAQFBRYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-6-16(5,20-8-3)15(19-7-2)13-12(17)10-9-11(4)14(13)18/h9-10,15,19H,6-8H2,1-5H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine?
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine is sourced from PubChem (CID 116759031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).