N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine

C15H20F2N2O — CID 105363768

IUPACN-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESFC(F)Oc1ccc(CNC2CCN3CCC2C3)cc1
InChIInChI=1S/C15H20F2N2O/c16-15(17)20-13-3-1-11(2-4-13)9-18-14-6-8-19-7-5-12(14)10-19/h1-4,12,14-15,18H,5-10H2
InChIKeyZWVBMGXHCYWFMJ-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.47
Rot. Bonds5

About N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine

N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105363768) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105363768
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine
SMILESFC(F)Oc1ccc(CNC2CCN3CCC2C3)cc1
InChIInChI=1S/C15H20F2N2O/c16-15(17)20-13-3-1-11(2-4-13)9-18-14-6-8-19-7-5-12(14)10-19/h1-4,12,14-15,18H,5-10H2
InChIKeyZWVBMGXHCYWFMJ-UHFFFAOYSA-N
XLogP2.47
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[[4-(trifluoromethyl)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364574
(3S)-1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine
CID 129366905
1-cyclopropyl-N-[[4-(difluoromethoxy)phenyl]methyl]piperidin-4-amine
CID 43234150
N-[[4-(difluoromethoxy)phenyl]methyl]-2-ethylcyclopentan-1-amine
CID 115691377
N-[[4-(difluoromethoxy)phenyl]methyl]-2,4-dimethylcyclohexan-1-amine
CID 63995059
N-[(6-methoxy-3-pyridinyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363784
N-[(4-ethylphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 17158935
N-(4-propan-2-yloxyphenyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105363818
N-[(3-ethoxyphenyl)methyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364330
2-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]phenol
CID 105364937
N-[[4-(difluoromethoxy)phenyl]methyl]-3,4-dimethylcyclohexan-1-amine
CID 64733158
4-[(1-azabicyclo[2.2.2]octan-3-ylamino)methyl]benzamide
CID 43180262

Frequently Asked Questions

What is the IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine (CID 105363768) is N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine is FC(F)Oc1ccc(CNC2CCN3CCC2C3)cc1.
What is the InChIKey of N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is ZWVBMGXHCYWFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c16-15(17)20-13-3-1-11(2-4-13)9-18-14-6-8-19-7-5-12(14)10-19/h1-4,12,14-15,18H,5-10H2.
What are the key properties of N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine?
N-[[4-(difluoromethoxy)phenyl]methyl]-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 282.33 g/mol, XLogP of 2.47, 5 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]-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105363768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).