2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine

C13H18FN — CID 84675560

IUPAC2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine
SMILESCC(C)CC1(N)CC1c1ccccc1F
InChIInChI=1S/C13H18FN/c1-9(2)7-13(15)8-11(13)10-5-3-4-6-12(10)14/h3-6,9,11H,7-8,15H2,1-2H3
InChIKeyYSPPRCFESCVQTJ-UHFFFAOYSA-N
MW207.29 g/mol
LogP3.06
Rot. Bonds3

About 2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine

2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine (PubChem CID 84675560) has the molecular formula C13H18FN and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine
PubChem CID84675560
Molecular FormulaC13H18FN
Molecular Weight207.29 g/mol
Exact Mass207.14
IUPAC Name2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine
SMILESCC(C)CC1(N)CC1c1ccccc1F
InChIInChI=1S/C13H18FN/c1-9(2)7-13(15)8-11(13)10-5-3-4-6-12(10)14/h3-6,9,11H,7-8,15H2,1-2H3
InChIKeyYSPPRCFESCVQTJ-UHFFFAOYSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine?
The IUPAC name of 2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine (CID 84675560) is 2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine?
The canonical SMILES for 2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine is CC(C)CC1(N)CC1c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine?
The InChIKey is YSPPRCFESCVQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN/c1-9(2)7-13(15)8-11(13)10-5-3-4-6-12(10)14/h3-6,9,11H,7-8,15H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine?
2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine has a molecular weight of 207.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(2-methylpropyl)cyclopropan-1-amine is sourced from PubChem (CID 84675560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).