2-[4-(difluoromethoxy)phenyl]propan-2-amine

C10H13F2NO — CID 50986507

IUPAC2-[4-(difluoromethoxy)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H13F2NO/c1-10(2,13)7-3-5-8(6-4-7)14-9(11)12/h3-6,9H,13H2,1-2H3
InChIKeyZIQRTADVNUAERV-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.48
Rot. Bonds3

About 2-[4-(difluoromethoxy)phenyl]propan-2-amine

2-[4-(difluoromethoxy)phenyl]propan-2-amine (PubChem CID 50986507) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)phenyl]propan-2-amine
PubChem CID50986507
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-[4-(difluoromethoxy)phenyl]propan-2-amine
SMILESCC(C)(N)c1ccc(OC(F)F)cc1
InChIInChI=1S/C10H13F2NO/c1-10(2,13)7-3-5-8(6-4-7)14-9(11)12/h3-6,9H,13H2,1-2H3
InChIKeyZIQRTADVNUAERV-UHFFFAOYSA-N
XLogP2.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)phenyl]propan-2-amine?
The IUPAC name of 2-[4-(difluoromethoxy)phenyl]propan-2-amine (CID 50986507) is 2-[4-(difluoromethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 2-[4-(difluoromethoxy)phenyl]propan-2-amine?
The canonical SMILES for 2-[4-(difluoromethoxy)phenyl]propan-2-amine is CC(C)(N)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[4-(difluoromethoxy)phenyl]propan-2-amine?
The InChIKey is ZIQRTADVNUAERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-10(2,13)7-3-5-8(6-4-7)14-9(11)12/h3-6,9H,13H2,1-2H3.
What are the key properties of 2-[4-(difluoromethoxy)phenyl]propan-2-amine?
2-[4-(difluoromethoxy)phenyl]propan-2-amine has a molecular weight of 201.22 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 50986507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).