[5,7-difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine

C14H18F2N2O — CID 82545122

IUPAC[5,7-difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2c(F)cc(F)cc2CN1CC1CCCO1
InChIInChI=1S/C14H18F2N2O/c15-10-4-9-7-18(8-11-2-1-3-19-11)13(6-17)14(9)12(16)5-10/h4-5,11,13H,1-3,6-8,17H2
InChIKeyLSDMSIJYOWAJKY-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.96
Rot. Bonds3

About [5,7-difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine

[5,7-difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545122) has the molecular formula C14H18F2N2O and a molecular weight of 268.31 g/mol. Its IUPAC name is [5,7-difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[5,7-difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545122
Molecular FormulaC14H18F2N2O
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name[5,7-difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESNCC1c2c(F)cc(F)cc2CN1CC1CCCO1
InChIInChI=1S/C14H18F2N2O/c15-10-4-9-7-18(8-11-2-1-3-19-11)13(6-17)14(9)12(16)5-10/h4-5,11,13H,1-3,6-8,17H2
InChIKeyLSDMSIJYOWAJKY-UHFFFAOYSA-N
XLogP1.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [5,7-difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine with MolForge

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Related Compounds

(4aR,7aS)-6-[(4-fluorophenyl)methyl]-4-(oxolan-2-ylmethyl)-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazine
CID 127023383
1-(Tetrahydrofuran-2-yl)-N-(2-(trifluoromethyl)benzyl)methanamine
CID 5295038
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(1-phenylethyl)pyrrolidin-3-amine
CID 71921440
(2R)-2-(4-fluorophenyl)-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidine
CID 66690998
(3S)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69059620
(3S)-N-[(3S)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69062147
(3R)-N-[(3R)-oxolan-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 69557794
1-[(2R)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 1510027
1-[(2S)-oxolan-2-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 1510028
[(2S)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium
CID 7298330
[(2R)-oxolan-2-yl]methyl-[[2-(trifluoromethyl)phenyl]methyl]azanium
CID 7298331
1-(3,4-difluorophenyl)-N-(oxolan-2-ylmethyl)ethanamine
CID 43179213

Frequently Asked Questions

What is the IUPAC name of [5,7-difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [5,7-difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine (CID 82545122) is [5,7-difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [5,7-difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [5,7-difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine is NCC1c2c(F)cc(F)cc2CN1CC1CCCO1.
What is the InChIKey of [5,7-difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is LSDMSIJYOWAJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O/c15-10-4-9-7-18(8-11-2-1-3-19-11)13(6-17)14(9)12(16)5-10/h4-5,11,13H,1-3,6-8,17H2.
What are the key properties of [5,7-difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine?
[5,7-difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 268.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7-difluoro-2-(oxolan-2-ylmethyl)-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).