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

C13H19F2N — CID 82823122

IUPAC1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1c(F)ccc(C)c1F
InChIInChI=1S/C13H19F2N/c1-4-6-11(16-5-2)12-10(14)8-7-9(3)13(12)15/h7-8,11,16H,4-6H2,1-3H3
InChIKeyAHLDQAXYOKOOQX-UHFFFAOYSA-N
MW227.30 g/mol
LogP3.72
Rot. Bonds5

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

1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine (PubChem CID 82823122) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
PubChem CID82823122
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine
SMILESCCCC(NCC)c1c(F)ccc(C)c1F
InChIInChI=1S/C13H19F2N/c1-4-6-11(16-5-2)12-10(14)8-7-9(3)13(12)15/h7-8,11,16H,4-6H2,1-3H3
InChIKeyAHLDQAXYOKOOQX-UHFFFAOYSA-N
XLogP3.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-N-ethyl-4-methylpentan-1-amine
CID 82822293
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-propoxypropan-1-amine
CID 105175820
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 82823040
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine
CID 82823061
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-2-phenylethanamine
CID 82815037
1-(2,6-difluoro-3-methylphenyl)-N-ethyl-3-thiophen-2-ylpropan-1-amine
CID 115860877
N-ethyl-1-(3-fluoro-4-methylphenyl)butan-1-amine
CID 60818536
N-ethyl-1-(2-fluoro-4,6-dimethylphenyl)butan-1-amine
CID 106881356
1-(2,6-difluoro-3-methylphenyl)-4-methyl-N-propylpent-4-en-1-amine
CID 105039592
1-(2,6-difluoro-3-methylphenyl)-N,2-diethylhexan-1-amine
CID 105027083
1-(2,6-difluoro-3-methylphenyl)-N-methylheptan-1-amine
CID 115833762
1-(2,6-difluoro-3-methylphenyl)hexylhydrazine
CID 105294572

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine (CID 82823122) is 1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine is CCCC(NCC)c1c(F)ccc(C)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine?
The InChIKey is AHLDQAXYOKOOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2N/c1-4-6-11(16-5-2)12-10(14)8-7-9(3)13(12)15/h7-8,11,16H,4-6H2,1-3H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine?
1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine has a molecular weight of 227.30 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-N-ethylbutan-1-amine is sourced from PubChem (CID 82823122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).