1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine

C17H26FNO — CID 116723827

IUPAC1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1F)C(OCC)C1CC1
InChIInChI=1S/C17H26FNO/c1-3-11-19-16(17(20-4-2)13-9-10-13)12-14-7-5-6-8-15(14)18/h5-8,13,16-17,19H,3-4,9-12H2,1-2H3
InChIKeyXDODKINANZNYOV-UHFFFAOYSA-N
MW279.40 g/mol
LogP3.55
Rot. Bonds9

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

1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine (PubChem CID 116723827) has the molecular formula C17H26FNO and a molecular weight of 279.40 g/mol. Its IUPAC name is 1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine
PubChem CID116723827
Molecular FormulaC17H26FNO
Molecular Weight279.40 g/mol
Exact Mass279.20
IUPAC Name1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine
SMILESCCCNC(Cc1ccccc1F)C(OCC)C1CC1
InChIInChI=1S/C17H26FNO/c1-3-11-19-16(17(20-4-2)13-9-10-13)12-14-7-5-6-8-15(14)18/h5-8,13,16-17,19H,3-4,9-12H2,1-2H3
InChIKeyXDODKINANZNYOV-UHFFFAOYSA-N
XLogP3.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine
CID 116724031
1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine
CID 116772454
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
N-[1-cyclobutyl-2-(2-fluorophenyl)ethyl]propan-1-amine
CID 61063838
1-(2,3-difluorophenyl)-3-ethoxy-N-propylhexan-2-amine
CID 116718406
(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
N-[2-(2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825874
1-cyclopropyl-3-(2,5-dichlorophenyl)-1-ethoxy-N-ethylpropan-2-amine
CID 116723730
1-cyclopropyl-3-(3,4-difluorophenyl)-1-methoxy-N-propylpropan-2-amine
CID 116722711
3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine
CID 64533184

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine?
The IUPAC name of 1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine (CID 116723827) is 1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine?
The canonical SMILES for 1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine is CCCNC(Cc1ccccc1F)C(OCC)C1CC1.
What is the InChIKey of 1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine?
The InChIKey is XDODKINANZNYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO/c1-3-11-19-16(17(20-4-2)13-9-10-13)12-14-7-5-6-8-15(14)18/h5-8,13,16-17,19H,3-4,9-12H2,1-2H3.
What are the key properties of 1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine?
1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine has a molecular weight of 279.40 g/mol, XLogP of 3.55, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine is sourced from PubChem (CID 116723827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).