1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine

C14H19F2NO — CID 114932668

IUPAC1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine
SMILESCCOC(C(N)Cc1c(F)cccc1F)C1CC1
InChIInChI=1S/C14H19F2NO/c1-2-18-14(9-6-7-9)13(17)8-10-11(15)4-3-5-12(10)16/h3-5,9,13-14H,2,6-8,17H2,1H3
InChIKeyMUJPOQLNAKWWPB-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.65
Rot. Bonds6

About 1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine

1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine (PubChem CID 114932668) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine
PubChem CID114932668
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine
SMILESCCOC(C(N)Cc1c(F)cccc1F)C1CC1
InChIInChI=1S/C14H19F2NO/c1-2-18-14(9-6-7-9)13(17)8-10-11(15)4-3-5-12(10)16/h3-5,9,13-14H,2,6-8,17H2,1H3
InChIKeyMUJPOQLNAKWWPB-UHFFFAOYSA-N
XLogP2.65
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(2,6-dimethylphenyl)-1-ethoxypropan-2-amine
CID 116772041
1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol
CID 114931734
3-(3-chloro-4-fluorophenyl)-1-cyclopropyl-1-ethoxypropan-2-amine
CID 103040498
[2-cyclopropyl-1-(2,6-difluorophenyl)-2-ethoxyethyl]hydrazine
CID 105273032
3-(3-bromo-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116772018
1-cyclopropyl-3-(2,5-dimethylphenyl)-1-ethoxypropan-2-amine
CID 116723227
1-cyclopropyl-3-(2,6-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 114932663
1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 83153746
1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine
CID 116724031
3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116771947
3-(2-chloro-4-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116772044
1-cyclopropyl-1-ethoxy-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 116723827

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine?
The IUPAC name of 1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine (CID 114932668) is 1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine.
What is the SMILES notation for 1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine?
The canonical SMILES for 1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine is CCOC(C(N)Cc1c(F)cccc1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine?
The InChIKey is MUJPOQLNAKWWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-2-18-14(9-6-7-9)13(17)8-10-11(15)4-3-5-12(10)16/h3-5,9,13-14H,2,6-8,17H2,1H3.
What are the key properties of 1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine?
1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine has a molecular weight of 255.31 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-amine is sourced from PubChem (CID 114932668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).