1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine

C13H17F2N — CID 115677001

IUPAC1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1cccc(F)c1F)C1CC1
InChIInChI=1S/C13H17F2N/c1-9(10-5-6-10)16-8-7-11-3-2-4-12(14)13(11)15/h2-4,9-10,16H,5-8H2,1H3
InChIKeyWKLFWOYEMHXVRG-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.90
Rot. Bonds5

About 1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine

1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine (PubChem CID 115677001) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine
PubChem CID115677001
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine
SMILESCC(NCCc1cccc(F)c1F)C1CC1
InChIInChI=1S/C13H17F2N/c1-9(10-5-6-10)16-8-7-11-3-2-4-12(14)13(11)15/h2-4,9-10,16H,5-8H2,1H3
InChIKeyWKLFWOYEMHXVRG-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 79692541
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CID 81394013
2-amino-N-[2-(2,3-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120793248
1-cyclohexyl-N-[2-(3-fluorophenyl)ethyl]ethanamine
CID 43777654
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CID 115676904
N-(1-cyclopropylethyl)-2,6-difluoroaniline
CID 43123985
2-[2-(2,3-difluorophenyl)ethylamino]pentanoic acid
CID 69141762
(2R)-4-(2,3-difluorophenyl)butan-2-amine
CID 93318671
N-(1-cyclopropylethyl)-2,3-difluorobenzamide
CID 62648544
1-cyclopropyl-3-(2,3-difluorophenyl)-1-ethoxy-N-propylpropan-2-amine
CID 116724031
2-chloro-2-cyclopropyl-N-[(2,3-difluorophenyl)methyl]ethanamine
CID 65029705

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine (CID 115677001) is 1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine is CC(NCCc1cccc(F)c1F)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine?
The InChIKey is WKLFWOYEMHXVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-9(10-5-6-10)16-8-7-11-3-2-4-12(14)13(11)15/h2-4,9-10,16H,5-8H2,1H3.
What are the key properties of 1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine?
1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine has a molecular weight of 225.28 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(2,3-difluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 115677001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).