N-(3-phenylmethoxycyclobutyl)-2-(trifluoromethyl)oxan-4-amine

C17H22F3NO2 — CID 146131113

IUPACN-(3-phenylmethoxycyclobutyl)-2-(trifluoromethyl)oxan-4-amine
SMILESFC(F)(F)C1CC(NC2CC(OCc3ccccc3)C2)CCO1
InChIInChI=1S/C17H22F3NO2/c18-17(19,20)16-10-13(6-7-22-16)21-14-8-15(9-14)23-11-12-4-2-1-3-5-12/h1-5,13-16,21H,6-11H2
InChIKeyFLGBIHBSJNOCJE-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.43
Rot. Bonds5

About N-(3-phenylmethoxycyclobutyl)-2-(trifluoromethyl)oxan-4-amine

N-(3-phenylmethoxycyclobutyl)-2-(trifluoromethyl)oxan-4-amine (PubChem CID 146131113) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-(3-phenylmethoxycyclobutyl)-2-(trifluoromethyl)oxan-4-amine.

Molecular Properties

Compound NameN-(3-phenylmethoxycyclobutyl)-2-(trifluoromethyl)oxan-4-amine
PubChem CID146131113
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC NameN-(3-phenylmethoxycyclobutyl)-2-(trifluoromethyl)oxan-4-amine
SMILESFC(F)(F)C1CC(NC2CC(OCc3ccccc3)C2)CCO1
InChIInChI=1S/C17H22F3NO2/c18-17(19,20)16-10-13(6-7-22-16)21-14-8-15(9-14)23-11-12-4-2-1-3-5-12/h1-5,13-16,21H,6-11H2
InChIKeyFLGBIHBSJNOCJE-UHFFFAOYSA-N
XLogP3.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-bis(phenylmethoxy)oxane
CID 123735835
2-phenylmethoxyoxetane
CID 23030739
4-phenylmethoxyoxane
CID 66554133
3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 12882576
(5S)-3-phenylmethoxy-6-oxabicyclo[3.1.0]hexane
CID 122657901
(3-chlorocyclobutyl)oxymethylbenzene
CID 66344030
2-ethyl-N-phenylmethoxyoxan-4-amine
CID 82708858
(1S,2S,4R)-2-fluoro-4-phenylmethoxycyclopentan-1-ol
CID 67957108
(2R,3S,4S)-3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 16688925
benzene;3,4-bis(phenylmethoxy)-2-(phenylmethoxymethyl)oxane
CID 171558653
azane;cyclopentyloxymethylbenzene
CID 69411306
(2R,3R,4R,5R)-3,4-bis(phenylmethoxy)-2,5-bis(phenylmethoxymethyl)oxolane
CID 14020682

Frequently Asked Questions

What is the IUPAC name of N-(3-phenylmethoxycyclobutyl)-2-(trifluoromethyl)oxan-4-amine?
The IUPAC name of N-(3-phenylmethoxycyclobutyl)-2-(trifluoromethyl)oxan-4-amine (CID 146131113) is N-(3-phenylmethoxycyclobutyl)-2-(trifluoromethyl)oxan-4-amine.
What is the SMILES notation for N-(3-phenylmethoxycyclobutyl)-2-(trifluoromethyl)oxan-4-amine?
The canonical SMILES for N-(3-phenylmethoxycyclobutyl)-2-(trifluoromethyl)oxan-4-amine is FC(F)(F)C1CC(NC2CC(OCc3ccccc3)C2)CCO1.
What is the InChIKey of N-(3-phenylmethoxycyclobutyl)-2-(trifluoromethyl)oxan-4-amine?
The InChIKey is FLGBIHBSJNOCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO2/c18-17(19,20)16-10-13(6-7-22-16)21-14-8-15(9-14)23-11-12-4-2-1-3-5-12/h1-5,13-16,21H,6-11H2.
What are the key properties of N-(3-phenylmethoxycyclobutyl)-2-(trifluoromethyl)oxan-4-amine?
N-(3-phenylmethoxycyclobutyl)-2-(trifluoromethyl)oxan-4-amine has a molecular weight of 329.36 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenylmethoxycyclobutyl)-2-(trifluoromethyl)oxan-4-amine is sourced from PubChem (CID 146131113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).