1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine

C14H20F2N2O — CID 65244673

IUPAC1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine
SMILESCC(CCc1ccc(OC(F)F)cc1)N1CC(N)C1
InChIInChI=1S/C14H20F2N2O/c1-10(18-8-12(17)9-18)2-3-11-4-6-13(7-5-11)19-14(15)16/h4-7,10,12,14H,2-3,8-9,17H2,1H3
InChIKeyBNGQQVBOEGXTIX-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.25
Rot. Bonds6

About 1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine

1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine (PubChem CID 65244673) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine.

Molecular Properties

Compound Name1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine
PubChem CID65244673
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine
SMILESCC(CCc1ccc(OC(F)F)cc1)N1CC(N)C1
InChIInChI=1S/C14H20F2N2O/c1-10(18-8-12(17)9-18)2-3-11-4-6-13(7-5-11)19-14(15)16/h4-7,10,12,14H,2-3,8-9,17H2,1H3
InChIKeyBNGQQVBOEGXTIX-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine?
The IUPAC name of 1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine (CID 65244673) is 1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine.
What is the SMILES notation for 1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine?
The canonical SMILES for 1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine is CC(CCc1ccc(OC(F)F)cc1)N1CC(N)C1.
What is the InChIKey of 1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine?
The InChIKey is BNGQQVBOEGXTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-10(18-8-12(17)9-18)2-3-11-4-6-13(7-5-11)19-14(15)16/h4-7,10,12,14H,2-3,8-9,17H2,1H3.
What are the key properties of 1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine?
1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine has a molecular weight of 270.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(difluoromethoxy)phenyl]butan-2-yl]azetidin-3-amine is sourced from PubChem (CID 65244673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).