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

C17H27F2NO — CID 116718406

IUPAC1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1cccc(F)c1F)C(CCC)OCC
InChIInChI=1S/C17H27F2NO/c1-4-8-16(21-6-3)15(20-11-5-2)12-13-9-7-10-14(18)17(13)19/h7,9-10,15-16,20H,4-6,8,11-12H2,1-3H3
InChIKeyYATYIHQGZFFWDS-UHFFFAOYSA-N
MW299.40 g/mol
LogP4.08
Rot. Bonds10

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

1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine (PubChem CID 116718406) has the molecular formula C17H27F2NO and a molecular weight of 299.40 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
PubChem CID116718406
Molecular FormulaC17H27F2NO
Molecular Weight299.40 g/mol
Exact Mass299.21
IUPAC Name1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
SMILESCCCNC(Cc1cccc(F)c1F)C(CCC)OCC
InChIInChI=1S/C17H27F2NO/c1-4-8-16(21-6-3)15(20-11-5-2)12-13-9-7-10-14(18)17(13)19/h7,9-10,15-16,20H,4-6,8,11-12H2,1-3H3
InChIKeyYATYIHQGZFFWDS-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-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271512
1-(2,6-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 114932646
1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716158
1-(2-chloro-6-fluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718291
1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine
CID 116724031
1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine
CID 105044273
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
1-(2-chloro-4-methylphenyl)-3-ethoxy-N-propylhexan-2-amine
CID 106868796
3-ethoxy-1-(2-methylphenyl)-N-propylpentan-2-amine
CID 116717295
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930
1-(2-bromo-3-fluorophenyl)-N,3-dipropylhexan-2-amine
CID 105020425
1-(2-bromo-3-fluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116715973

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine?
The IUPAC name of 1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine (CID 116718406) is 1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine.
What is the SMILES notation for 1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine?
The canonical SMILES for 1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine is CCCNC(Cc1cccc(F)c1F)C(CCC)OCC.
What is the InChIKey of 1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine?
The InChIKey is YATYIHQGZFFWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F2NO/c1-4-8-16(21-6-3)15(20-11-5-2)12-13-9-7-10-14(18)17(13)19/h7,9-10,15-16,20H,4-6,8,11-12H2,1-3H3.
What are the key properties of 1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine?
1-(2,3-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-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine is sourced from PubChem (CID 116718406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).