N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine

C13H18F2N2O — CID 66182713

IUPACN-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine
SMILESCCN(Cc1ccccc1OC(F)F)C1CNC1
InChIInChI=1S/C13H18F2N2O/c1-2-17(11-7-16-8-11)9-10-5-3-4-6-12(10)18-13(14)15/h3-6,11,13,16H,2,7-9H2,1H3
InChIKeyKHWHMPTTXQIESG-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.08
Rot. Bonds6

About N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine

N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine (PubChem CID 66182713) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine.

Molecular Properties

Compound NameN-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine
PubChem CID66182713
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC NameN-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine
SMILESCCN(Cc1ccccc1OC(F)F)C1CNC1
InChIInChI=1S/C13H18F2N2O/c1-2-17(11-7-16-8-11)9-10-5-3-4-6-12(10)18-13(14)15/h3-6,11,13,16H,2,7-9H2,1H3
InChIKeyKHWHMPTTXQIESG-UHFFFAOYSA-N
XLogP2.08
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-N-propylpyrrolidin-3-amine
CID 63300997
N-ethyl-N-[(2-ethylphenyl)methyl]azetidin-3-amine
CID 66181431
N-[(2,3-difluorophenyl)methyl]-N-ethylazetidin-3-amine
CID 66181429
N-[(2-ethoxyphenyl)methyl]-N-ethylpyrrolidin-3-amine
CID 63299763
2-[cyclopentyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol
CID 62016633
2-[cyclohexyl-[[2-(difluoromethoxy)phenyl]methyl]amino]ethanol
CID 62014264
N-ethyl-N-(isoquinolin-4-ylmethyl)azetidin-3-amine
CID 113420161
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-N-propylazetidin-3-amine
CID 66183932
N-ethyl-N-[2-(2-fluorophenoxy)ethyl]azetidin-3-amine
CID 66184304
3-[[2-(difluoromethoxy)phenyl]methyl-ethylamino]propan-1-ol
CID 115666360
4-[[2-(difluoromethoxy)phenyl]methyl]piperidine
CID 117355180
2-[[2-(difluoromethoxy)phenyl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62022488

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine?
The IUPAC name of N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine (CID 66182713) is N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine.
What is the SMILES notation for N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine?
The canonical SMILES for N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine is CCN(Cc1ccccc1OC(F)F)C1CNC1.
What is the InChIKey of N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine?
The InChIKey is KHWHMPTTXQIESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-2-17(11-7-16-8-11)9-10-5-3-4-6-12(10)18-13(14)15/h3-6,11,13,16H,2,7-9H2,1H3.
What are the key properties of N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine?
N-[[2-(difluoromethoxy)phenyl]methyl]-N-ethylazetidin-3-amine has a molecular weight of 256.30 g/mol, XLogP of 2.08, 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]methyl]-N-ethylazetidin-3-amine is sourced from PubChem (CID 66182713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).