1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine

C16H25F2NO — CID 116721756

IUPAC1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)C(OCC)C(C)C
InChIInChI=1S/C16H25F2NO/c1-5-9-19-15(16(11(3)4)20-6-2)12-7-8-13(17)14(18)10-12/h7-8,10-11,15-16,19H,5-6,9H2,1-4H3
InChIKeyZUVKONASVQPYTL-UHFFFAOYSA-N
MW285.38 g/mol
LogP4.07
Rot. Bonds8

About 1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine

1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine (PubChem CID 116721756) has the molecular formula C16H25F2NO and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
PubChem CID116721756
Molecular FormulaC16H25F2NO
Molecular Weight285.38 g/mol
Exact Mass285.19
IUPAC Name1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
SMILESCCCNC(c1ccc(F)c(F)c1)C(OCC)C(C)C
InChIInChI=1S/C16H25F2NO/c1-5-9-19-15(16(11(3)4)20-6-2)12-7-8-13(17)14(18)10-12/h7-8,10-11,15-16,19H,5-6,9H2,1-4H3
InChIKeyZUVKONASVQPYTL-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718368
1-(3,4-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719516
1-(3,4-difluorophenyl)-2-ethoxy-3-methylbutan-1-amine
CID 116720952
2-ethoxy-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 116717243
2-ethoxy-1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116726046
1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
CID 82316258
1-(2,5-dimethylphenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine
CID 116721709
1-(3,4-dimethylphenyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720687
1-(2,5-difluorophenyl)-3-ethoxy-4-methyl-N-propylpentan-2-amine
CID 116721623
2-ethoxy-1-(5-methoxy-3-pyridinyl)-3-methyl-N-propylbutan-1-amine
CID 116721748
1-(3,4-difluorophenyl)-2-ethoxy-N-ethyl-3,3-dimethylbutan-1-amine
CID 116725875
1-(3,4-difluorophenyl)-N-propyl-2-pyridin-2-ylpropan-1-amine
CID 66447426

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine (CID 116721756) is 1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine is CCCNC(c1ccc(F)c(F)c1)C(OCC)C(C)C.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine?
The InChIKey is ZUVKONASVQPYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2NO/c1-5-9-19-15(16(11(3)4)20-6-2)12-7-8-13(17)14(18)10-12/h7-8,10-11,15-16,19H,5-6,9H2,1-4H3.
What are the key properties of 1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine?
1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine has a molecular weight of 285.38 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-ethoxy-3-methyl-N-propylbutan-1-amine is sourced from PubChem (CID 116721756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).