N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine

C15H21F2NO2 — CID 103743145

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
SMILESCOC1CC(NCc2ccc(OC(F)F)cc2)C1(C)C
InChIInChI=1S/C15H21F2NO2/c1-15(2)12(8-13(15)19-3)18-9-10-4-6-11(7-5-10)20-14(16)17/h4-7,12-14,18H,8-9H2,1-3H3
InChIKeyXQDQUBQXILULRZ-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.19
Rot. Bonds6

About N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine

N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine (PubChem CID 103743145) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
PubChem CID103743145
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine
SMILESCOC1CC(NCc2ccc(OC(F)F)cc2)C1(C)C
InChIInChI=1S/C15H21F2NO2/c1-15(2)12(8-13(15)19-3)18-9-10-4-6-11(7-5-10)20-14(16)17/h4-7,12-14,18H,8-9H2,1-3H3
InChIKeyXQDQUBQXILULRZ-UHFFFAOYSA-N
XLogP3.19
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine (CID 103743145) is N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine is COC1CC(NCc2ccc(OC(F)F)cc2)C1(C)C.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
The InChIKey is XQDQUBQXILULRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-15(2)12(8-13(15)19-3)18-9-10-4-6-11(7-5-10)20-14(16)17/h4-7,12-14,18H,8-9H2,1-3H3.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine?
N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine has a molecular weight of 285.33 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(difluoromethoxy)phenyl]methyl]-3-methoxy-2,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 103743145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).