1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine

C16H25F2NO — CID 116759422

IUPAC1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1c(F)cccc1F)C(C)(CC)OCC
InChIInChI=1S/C16H25F2NO/c1-5-11-19-15(16(4,6-2)20-7-3)14-12(17)9-8-10-13(14)18/h8-10,15,19H,5-7,11H2,1-4H3
InChIKeyRMPUOPBTUVXSRV-UHFFFAOYSA-N
MW285.38 g/mol
LogP4.21
Rot. Bonds8

About 1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine

1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine (PubChem CID 116759422) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
PubChem CID116759422
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1c(F)cccc1F)C(C)(CC)OCC
InChIInChI=1S/C16H25F2NO/c1-5-11-19-15(16(4,6-2)20-7-3)14-12(17)9-8-10-13(14)18/h8-10,15,19H,5-7,11H2,1-4H3
InChIKeyRMPUOPBTUVXSRV-UHFFFAOYSA-N
XLogP4.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine
CID 116759333
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759031
1-(3,5-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759448
2-ethoxy-2-methyl-N-propyl-1-(3-propylphenyl)butan-1-amine
CID 116759318
2-ethoxy-2-ethyl-1-(2-fluorophenyl)-N-propylbutan-1-amine
CID 116760420
2-ethoxy-1-(furan-3-yl)-2-methyl-N-propylbutan-1-amine
CID 116759332
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N,2-dimethylbutan-1-amine
CID 116758744
2-ethoxy-1-(5-fluoro-2-methoxyphenyl)-2-methyl-N-propylbutan-1-amine
CID 116759257
2-ethoxy-2-methyl-1-(4-methyl-3-pyridinyl)-N-propylbutan-1-amine
CID 116759381
N-[1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 24691254
1-(3-chloro-2-fluorophenyl)-3-ethoxy-3-methyl-N-propylpentan-2-amine
CID 102857999
1-(2,6-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719530

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine (CID 116759422) is 1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine is CCCNC(c1c(F)cccc1F)C(C)(CC)OCC.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
The InChIKey is RMPUOPBTUVXSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-5-11-19-15(16(4,6-2)20-7-3)14-12(17)9-8-10-13(14)18/h8-10,15,19H,5-7,11H2,1-4H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine?
1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116759422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).