1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine

C13H17FN2 — CID 84735247

IUPAC1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(C(c2cccc(F)c2)N2CCC2)CC1
InChIInChI=1S/C13H17FN2/c14-11-4-1-3-10(9-11)12(13(15)5-6-13)16-7-2-8-16/h1,3-4,9,12H,2,5-8,15H2
InChIKeyKKUOVDSYJGLWME-UHFFFAOYSA-N
MW220.29 g/mol
LogP2.06
Rot. Bonds3

About 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine

1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine (PubChem CID 84735247) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine
PubChem CID84735247
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Name1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine
SMILESNC1(C(c2cccc(F)c2)N2CCC2)CC1
InChIInChI=1S/C13H17FN2/c14-11-4-1-3-10(9-11)12(13(15)5-6-13)16-7-2-8-16/h1,3-4,9,12H,2,5-8,15H2
InChIKeyKKUOVDSYJGLWME-UHFFFAOYSA-N
XLogP2.06
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine?
The IUPAC name of 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine (CID 84735247) is 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine is NC1(C(c2cccc(F)c2)N2CCC2)CC1.
What is the InChIKey of 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine?
The InChIKey is KKUOVDSYJGLWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2/c14-11-4-1-3-10(9-11)12(13(15)5-6-13)16-7-2-8-16/h1,3-4,9,12H,2,5-8,15H2.
What are the key properties of 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine?
1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine has a molecular weight of 220.29 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[azetidin-1-yl-(3-fluorophenyl)methyl]cyclopropan-1-amine is sourced from PubChem (CID 84735247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).