1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3,5-difluorophenyl]propan-2-amine

C15H20F2N2 — CID 63816512

IUPAC1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3,5-difluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)c(N2CC3CCC2C3)c(F)c1
InChIInChI=1S/C15H20F2N2/c1-9(18)4-11-6-13(16)15(14(17)7-11)19-8-10-2-3-12(19)5-10/h6-7,9-10,12H,2-5,8,18H2,1H3
InChIKeyZOUCDAZKDWOWOR-UHFFFAOYSA-N
MW266.33 g/mol
LogP2.84
Rot. Bonds3

About 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3,5-difluorophenyl]propan-2-amine

1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3,5-difluorophenyl]propan-2-amine (PubChem CID 63816512) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3,5-difluorophenyl]propan-2-amine.

Molecular Properties

Compound Name1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3,5-difluorophenyl]propan-2-amine
PubChem CID63816512
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3,5-difluorophenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)c(N2CC3CCC2C3)c(F)c1
InChIInChI=1S/C15H20F2N2/c1-9(18)4-11-6-13(16)15(14(17)7-11)19-8-10-2-3-12(19)5-10/h6-7,9-10,12H,2-5,8,18H2,1H3
InChIKeyZOUCDAZKDWOWOR-UHFFFAOYSA-N
XLogP2.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3,5-difluorophenyl]propan-2-amine?
The IUPAC name of 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3,5-difluorophenyl]propan-2-amine (CID 63816512) is 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3,5-difluorophenyl]propan-2-amine.
What is the SMILES notation for 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3,5-difluorophenyl]propan-2-amine?
The canonical SMILES for 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3,5-difluorophenyl]propan-2-amine is CC(N)Cc1cc(F)c(N2CC3CCC2C3)c(F)c1.
What is the InChIKey of 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3,5-difluorophenyl]propan-2-amine?
The InChIKey is ZOUCDAZKDWOWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2/c1-9(18)4-11-6-13(16)15(14(17)7-11)19-8-10-2-3-12(19)5-10/h6-7,9-10,12H,2-5,8,18H2,1H3.
What are the key properties of 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3,5-difluorophenyl]propan-2-amine?
1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3,5-difluorophenyl]propan-2-amine has a molecular weight of 266.33 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-azabicyclo[2.2.1]heptan-2-yl)-3,5-difluorophenyl]propan-2-amine is sourced from PubChem (CID 63816512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).