1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine

C11H14FN — CID 67420694

IUPAC1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C11H14FN/c12-10-3-1-9(2-4-10)5-6-11(13)7-8-11/h1-4H,5-8,13H2
InChIKeyYTWLLYNAQBZNAU-UHFFFAOYSA-N
MW179.24 g/mol
LogP2.25
Rot. Bonds3

About 1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine

1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine (PubChem CID 67420694) has the molecular formula C11H14FN and a molecular weight of 179.24 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine
PubChem CID67420694
Molecular FormulaC11H14FN
Molecular Weight179.24 g/mol
Exact Mass179.11
IUPAC Name1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine
SMILESNC1(CCc2ccc(F)cc2)CC1
InChIInChI=1S/C11H14FN/c12-10-3-1-9(2-4-10)5-6-11(13)7-8-11/h1-4H,5-8,13H2
InChIKeyYTWLLYNAQBZNAU-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine?
The IUPAC name of 1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine (CID 67420694) is 1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine is NC1(CCc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine?
The InChIKey is YTWLLYNAQBZNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN/c12-10-3-1-9(2-4-10)5-6-11(13)7-8-11/h1-4H,5-8,13H2.
What are the key properties of 1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine?
1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine has a molecular weight of 179.24 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethyl]cyclopropan-1-amine is sourced from PubChem (CID 67420694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).