N-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine

C12H15F3N2O — CID 68593383

IUPACN-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine
SMILESCC(NC1CNC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-8(17-10-6-16-7-10)9-2-4-11(5-3-9)18-12(13,14)15/h2-5,8,10,16-17H,6-7H2,1H3
InChIKeySRXAYPXBBOWZCJ-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.21
Rot. Bonds4

About N-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine

N-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine (PubChem CID 68593383) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine.

Molecular Properties

Compound NameN-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine
PubChem CID68593383
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine
SMILESCC(NC1CNC1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-8(17-10-6-16-7-10)9-2-4-11(5-3-9)18-12(13,14)15/h2-5,8,10,16-17H,6-7H2,1H3
InChIKeySRXAYPXBBOWZCJ-UHFFFAOYSA-N
XLogP2.21
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(trifluoromethoxy)phenyl]ethyl]cyclopentanamine
CID 43190434
N-[1-(4-methoxyphenyl)ethyl]azetidin-3-amine
CID 66244684
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]oxolan-3-amine
CID 80716691
(1R)-1-cyclopentyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]ethanamine
CID 81389755
N-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 79741892
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
(3S,4R)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide
CID 46215623
2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 43190379
1-methyl-N-[1-[4-[(2-methylpropan-2-yl)oxy]phenyl]ethyl]piperidin-4-amine
CID 86793716
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butan-2-amine
CID 43190319
(1S)-N-tert-butylsulfanyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 174916016
3-[[4-(trifluoromethoxy)phenoxy]methyl]azetidine
CID 71133733

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine?
The IUPAC name of N-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine (CID 68593383) is N-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine.
What is the SMILES notation for N-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine?
The canonical SMILES for N-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine is CC(NC1CNC1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine?
The InChIKey is SRXAYPXBBOWZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8(17-10-6-16-7-10)9-2-4-11(5-3-9)18-12(13,14)15/h2-5,8,10,16-17H,6-7H2,1H3.
What are the key properties of N-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine?
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine has a molecular weight of 260.26 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(trifluoromethoxy)phenyl]ethyl]azetidin-3-amine is sourced from PubChem (CID 68593383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).