2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine

C11H13F2N — CID 164662438

IUPAC2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine
SMILESNCCC1(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C11H13F2N/c12-9-2-1-8(7-10(9)13)11(3-4-11)5-6-14/h1-2,7H,3-6,14H2
InChIKeyXEXJFNCOZRCLCY-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.35
Rot. Bonds3

About 2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine

2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine (PubChem CID 164662438) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine
PubChem CID164662438
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine
SMILESNCCC1(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C11H13F2N/c12-9-2-1-8(7-10(9)13)11(3-4-11)5-6-14/h1-2,7H,3-6,14H2
InChIKeyXEXJFNCOZRCLCY-UHFFFAOYSA-N
XLogP2.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine?
The IUPAC name of 2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine (CID 164662438) is 2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine.
What is the SMILES notation for 2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine?
The canonical SMILES for 2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine is NCCC1(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine?
The InChIKey is XEXJFNCOZRCLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c12-9-2-1-8(7-10(9)13)11(3-4-11)5-6-14/h1-2,7H,3-6,14H2.
What are the key properties of 2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine?
2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine has a molecular weight of 197.23 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluorophenyl)cyclopropyl]ethanamine is sourced from PubChem (CID 164662438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).