1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine

C17H25F2NO — CID 116724031

IUPAC1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(F)c1F)C(OCC)C1CC1
InChIInChI=1S/C17H25F2NO/c1-3-10-20-15(17(21-4-2)12-8-9-12)11-13-6-5-7-14(18)16(13)19/h5-7,12,15,17,20H,3-4,8-11H2,1-2H3
InChIKeyWQGZAODOWRSYBD-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.69
Rot. Bonds9

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

1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine (PubChem CID 116724031) has the molecular formula C17H25F2NO and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine
PubChem CID116724031
Molecular FormulaC17H25F2NO
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(F)c1F)C(OCC)C1CC1
InChIInChI=1S/C17H25F2NO/c1-3-10-20-15(17(21-4-2)12-8-9-12)11-13-6-5-7-14(18)16(13)19/h5-7,12,15,17,20H,3-4,8-11H2,1-2H3
InChIKeyWQGZAODOWRSYBD-UHFFFAOYSA-N
XLogP3.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 116723827
1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718406
1-(2,3-difluorophenyl)-3-methoxy-N-propylpentan-2-amine
CID 116716158
1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine
CID 116772454
1-(2,3-difluorophenyl)-5-methoxy-3-methyl-N-propylpentan-2-amine
CID 105044273
1-(2,3-difluorophenyl)-N-propylpropan-2-amine
CID 62601742
3-(2-chlorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 116723625
1-cyclopropyl-1-ethoxy-N-ethyl-3-(2-methoxyphenyl)propan-2-amine
CID 116723635
[1-(2,3-difluorophenyl)-3-ethoxyhexan-2-yl]hydrazine
CID 105271512
3-[(2,3-difluorophenyl)methyl]-N-propylpentan-2-amine
CID 54896930
(1-cyclopropyl-1-ethoxy-3-naphthalen-1-ylpropan-2-yl)hydrazine
CID 105273185
3-(2-chloro-5-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-ethylpropan-2-amine
CID 102619358

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine (CID 116724031) is 1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine is CCCNC(Cc1cccc(F)c1F)C(OCC)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine?
The InChIKey is WQGZAODOWRSYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO/c1-3-10-20-15(17(21-4-2)12-8-9-12)11-13-6-5-7-14(18)16(13)19/h5-7,12,15,17,20H,3-4,8-11H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine?
1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine has a molecular weight of 297.39 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine is sourced from PubChem (CID 116724031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).