1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine

C17H27F2NO — CID 114932646

IUPAC1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1c(F)cccc1F)C(CCC)OCC
InChIInChI=1S/C17H27F2NO/c1-4-8-17(21-6-3)16(20-11-5-2)12-13-14(18)9-7-10-15(13)19/h7,9-10,16-17,20H,4-6,8,11-12H2,1-3H3
InChIKeyGTAQVGKJCGOQAM-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.08
Rot. Bonds10

About 1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine

1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine (PubChem CID 114932646) has the molecular formula C17H27F2NO and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
PubChem CID114932646
Molecular FormulaC17H27F2NO
Molecular Weight299.40 g/mol
Exact Mass299.21
IUPAC Name1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1c(F)cccc1F)C(CCC)OCC
InChIInChI=1S/C17H27F2NO/c1-4-8-17(21-6-3)16(20-11-5-2)12-13-14(18)9-7-10-15(13)19/h7,9-10,16-17,20H,4-6,8,11-12H2,1-3H3
InChIKeyGTAQVGKJCGOQAM-UHFFFAOYSA-N
XLogP4.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718291
1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718406
1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-methylhexan-2-amine
CID 116717748
5-ethoxy-2-methyl-N-propyloctan-4-amine
CID 116718205
[1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271512
1-(3,4-dichlorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718299
1-(2,6-difluorophenyl)-3-ethoxy-N-ethyl-4-methylpentan-2-amine
CID 114932658
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
CID 106868796
1-(3,4-difluorophenyl)-2-ethoxy-N-propylpentan-1-amine
CID 116718368
4-ethoxy-N-propyltetradecan-5-amine
CID 116718264
1-(2,6-difluorophenyl)-2-methoxy-N-propylpentan-1-amine
CID 116719530
1-(2,5-dimethylpyrazol-3-yl)-3-ethoxy-N-propylhexan-2-amine
CID 116718230

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine?
The IUPAC name of 1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine (CID 114932646) is 1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine is CCCNC(Cc1c(F)cccc1F)C(CCC)OCC.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine?
The InChIKey is GTAQVGKJCGOQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2NO/c1-4-8-17(21-6-3)16(20-11-5-2)12-13-14(18)9-7-10-15(13)19/h7,9-10,16-17,20H,4-6,8,11-12H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine?
1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine has a molecular weight of 299.40 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine is sourced from PubChem (CID 114932646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).