2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine

C15H21NO3 — CID 114468363

IUPAC2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine
SMILESc1ccc2c(c1)CCOC2COCC1CNCCO1
InChIInChI=1S/C15H21NO3/c1-2-4-14-12(3-1)5-7-19-15(14)11-17-10-13-9-16-6-8-18-13/h1-4,13,15-16H,5-11H2
InChIKeyQSZLOZQSHQAPDS-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.31
Rot. Bonds4

About 2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine

2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine (PubChem CID 114468363) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine
PubChem CID114468363
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine
SMILESc1ccc2c(c1)CCOC2COCC1CNCCO1
InChIInChI=1S/C15H21NO3/c1-2-4-14-12(3-1)5-7-19-15(14)11-17-10-13-9-16-6-8-18-13/h1-4,13,15-16H,5-11H2
InChIKeyQSZLOZQSHQAPDS-UHFFFAOYSA-N
XLogP1.31
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-1H-isochromen-1-yl)-3-morpholin-2-ylpropan-2-one
CID 116586320
(2S)-2-[[4-[[(2S)-morpholin-2-yl]methoxymethyl]phenyl]methoxymethyl]morpholine
CID 170603335
(1S)-2-[[(2R)-morpholin-2-yl]methoxy]-1-phenylethanol
CID 57190648
1-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine
CID 64574632
(2R)-2-(cyclopropylmethoxymethyl)morpholine
CID 95369053
1-(iodomethyl)-3,4-dihydro-1H-isochromene
CID 64788937
[(1R)-3,4-dihydro-1H-isochromen-1-yl]methanethiol
CID 129369937
N-(morpholin-2-ylmethoxy)fluoren-9-imine
CID 10334632
3-[(1R)-3,4-dihydro-1H-isochromen-1-yl]azetidine
CID 122456658
3-[(1S)-3,4-dihydro-1H-isochromen-1-yl]azetidine
CID 122456651
2-fluoro-3-(morpholin-2-ylmethoxymethyl)benzonitrile
CID 107118745
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-N-methyl-1-piperidin-3-ylmethanamine
CID 103815781

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine?
The IUPAC name of 2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine (CID 114468363) is 2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine?
The canonical SMILES for 2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine is c1ccc2c(c1)CCOC2COCC1CNCCO1.
What is the InChIKey of 2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine?
The InChIKey is QSZLOZQSHQAPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-4-14-12(3-1)5-7-19-15(14)11-17-10-13-9-16-6-8-18-13/h1-4,13,15-16H,5-11H2.
What are the key properties of 2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine?
2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine has a molecular weight of 263.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)morpholine is sourced from PubChem (CID 114468363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).