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

C15H23F2NO — CID 116717024

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine
SMILESCCNC(c1c(F)ccc(C)c1F)C(CC)OCC
InChIInChI=1S/C15H23F2NO/c1-5-12(19-7-3)15(18-6-2)13-11(16)9-8-10(4)14(13)17/h8-9,12,15,18H,5-7H2,1-4H3
InChIKeyVLIZNFKVURCYAT-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.74
Rot. Bonds7

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

1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine (PubChem CID 116717024) has the molecular formula C15H23F2NO and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine
PubChem CID116717024
Molecular FormulaC15H23F2NO
Molecular Weight271.35 g/mol
Exact Mass271.17
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine
SMILESCCNC(c1c(F)ccc(C)c1F)C(CC)OCC
InChIInChI=1S/C15H23F2NO/c1-5-12(19-7-3)15(18-6-2)13-11(16)9-8-10(4)14(13)17/h8-9,12,15,18H,5-7H2,1-4H3
InChIKeyVLIZNFKVURCYAT-UHFFFAOYSA-N
XLogP3.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-2-ethoxy-N-propylbutan-1-amine
CID 106943029
1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine
CID 105027083
[1-(2,6-difluoro-3-methylphenyl)-2-methoxybutyl]hydrazine
CID 105270622
2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116717243
1-(2,3-difluoro-4-methylphenyl)-2-ethoxy-N-ethylpentan-1-amine
CID 107513831
1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
CID 82823122
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116716830
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759031
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 82822293
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 82823040
2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 116717005
1-(3-bromo-2,6-difluorophenyl)-2-ethoxy-N-ethyl-3-methylbutan-1-amine
CID 106943041

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine (CID 116717024) is 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine is CCNC(c1c(F)ccc(C)c1F)C(CC)OCC.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine?
The InChIKey is VLIZNFKVURCYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2NO/c1-5-12(19-7-3)15(18-6-2)13-11(16)9-8-10(4)14(13)17/h8-9,12,15,18H,5-7H2,1-4H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine?
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine has a molecular weight of 271.35 g/mol, XLogP of 3.74, 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-ethylbutan-1-amine is sourced from PubChem (CID 116717024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).