N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine

C15H21F2NO2 — CID 115856059

IUPACN-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1OC(F)F)C1CCOCC1
InChIInChI=1S/C15H21F2NO2/c1-2-18-14(11-7-9-19-10-8-11)12-5-3-4-6-13(12)20-15(16)17/h3-6,11,14-15,18H,2,7-10H2,1H3
InChIKeyPIURWHXFOJWXLU-UHFFFAOYSA-N
MW285.33 g/mol
LogP3.37
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine

N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine (PubChem CID 115856059) has the molecular formula C15H21F2NO2 and a molecular weight of 285.33 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine
PubChem CID115856059
Molecular FormulaC15H21F2NO2
Molecular Weight285.33 g/mol
Exact Mass285.15
IUPAC NameN-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine
SMILESCCNC(c1ccccc1OC(F)F)C1CCOCC1
InChIInChI=1S/C15H21F2NO2/c1-2-18-14(11-7-9-19-10-8-11)12-5-3-4-6-13(12)20-15(16)17/h3-6,11,14-15,18H,2,7-10H2,1H3
InChIKeyPIURWHXFOJWXLU-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine 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-[[2-(difluoromethoxy)phenyl]-(4-methylcyclohexyl)methyl]ethanamine
CID 104988207
N-[cyclohexyl-[2-(difluoromethoxy)phenyl]methyl]ethanamine
CID 114981698
[[2-(difluoromethoxy)phenyl]-(oxolan-3-yl)methyl]hydrazine
CID 105306496
N-[oxan-4-yl-(2-propoxyphenyl)methyl]propan-1-amine
CID 104660281
N-[(2,5-difluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62907060
[1-[2-(difluoromethoxy)phenyl]-2-(oxan-4-yl)ethyl]hydrazine
CID 105298760
N-[(2-methoxy-4-methylphenyl)-(oxan-4-yl)methyl]ethanamine
CID 106792296
N-[(2-chloro-3-methylphenyl)-(oxan-4-yl)methyl]ethanamine
CID 115855904
N-[(4-fluorophenyl)-(oxan-4-yl)methyl]ethanamine
CID 62906192
N-[(2-methylphenyl)-(oxolan-3-yl)methyl]ethanamine
CID 63563797
N-[(4-methyl-3-pyridinyl)-(oxan-4-yl)methyl]ethanamine
CID 66272084
1-[(S)-[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine
CID 171281259

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine (CID 115856059) is N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine is CCNC(c1ccccc1OC(F)F)C1CCOCC1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine?
The InChIKey is PIURWHXFOJWXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO2/c1-2-18-14(11-7-9-19-10-8-11)12-5-3-4-6-13(12)20-15(16)17/h3-6,11,14-15,18H,2,7-10H2,1H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine?
N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine has a molecular weight of 285.33 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethoxy)phenyl]-(oxan-4-yl)methyl]ethanamine is sourced from PubChem (CID 115856059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).