4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine

C18H27NO2 — CID 171606507

IUPAC4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine
SMILESCC(C)(C)c1cc2c(c(CN3CCOCC3)c1)COCC2
InChIInChI=1S/C18H27NO2/c1-18(2,3)16-10-14-4-7-21-13-17(14)15(11-16)12-19-5-8-20-9-6-19/h10-11H,4-9,12-13H2,1-3H3
InChIKeyNHCSVEXUJABOAV-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.89
Rot. Bonds2

About 4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine

4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine (PubChem CID 171606507) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine
PubChem CID171606507
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine
SMILESCC(C)(C)c1cc2c(c(CN3CCOCC3)c1)COCC2
InChIInChI=1S/C18H27NO2/c1-18(2,3)16-10-14-4-7-21-13-17(14)15(11-16)12-19-5-8-20-9-6-19/h10-11H,4-9,12-13H2,1-3H3
InChIKeyNHCSVEXUJABOAV-UHFFFAOYSA-N
XLogP2.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(7-tert-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-5-yl)methyl]morpholine
CID 171575501
1-[(6-bromo-3,4-dihydro-1H-isochromen-8-yl)methyl]-4-methylpiperidine
CID 171606569
4-[(3,5-ditert-butylphenyl)methyl]morpholine
CID 59709271
CID 139156018
CID 139156018
4-[(5-tert-butylcyclohexa-1,5-dien-1-yl)methyl]morpholine
CID 126724586
4-tert-butyl-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 9481155
4-[2-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]morpholine
CID 110456979
5-tert-butyl-3-(morpholin-4-ylmethyl)furan-2-carboxylic acid
CID 651170
(2S)-2-(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)-4-(methoxymethyl)pyrrolidine
CID 171606520
2,4-ditert-butyl-6-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-ylmethyl)phenolate;molecular hydrogen;oxido(triphenyl)silane;tin(2+)
CID 132549687
2-[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]-2-methylpropan-1-ol
CID 117422004
3-tert-butyl-N-(2-morpholin-4-ylethyl)aniline
CID 20619663

Frequently Asked Questions

What is the IUPAC name of 4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine?
The IUPAC name of 4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine (CID 171606507) is 4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine.
What is the SMILES notation for 4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine?
The canonical SMILES for 4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine is CC(C)(C)c1cc2c(c(CN3CCOCC3)c1)COCC2.
What is the InChIKey of 4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine?
The InChIKey is NHCSVEXUJABOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-18(2,3)16-10-14-4-7-21-13-17(14)15(11-16)12-19-5-8-20-9-6-19/h10-11H,4-9,12-13H2,1-3H3.
What are the key properties of 4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine?
4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine has a molecular weight of 289.42 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-tert-butyl-3,4-dihydro-1H-isochromen-8-yl)methyl]morpholine is sourced from PubChem (CID 171606507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).