4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine

C19H21NO4 — CID 135368630

IUPAC4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine
SMILESCOc1ccccc1C(c1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C19H21NO4/c1-21-16-5-3-2-4-15(16)19(20-8-10-22-11-9-20)14-6-7-17-18(12-14)24-13-23-17/h2-7,12,19H,8-11,13H2,1H3
InChIKeyMFZGZVWQYYLZTN-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.85
Rot. Bonds4

About 4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine

4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine (PubChem CID 135368630) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine
PubChem CID135368630
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine
SMILESCOc1ccccc1C(c1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C19H21NO4/c1-21-16-5-3-2-4-15(16)19(20-8-10-22-11-9-20)14-6-7-17-18(12-14)24-13-23-17/h2-7,12,19H,8-11,13H2,1H3
InChIKeyMFZGZVWQYYLZTN-UHFFFAOYSA-N
XLogP2.85
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1,3-benzodioxol-5-yl-(5-fluoro-2-methoxyphenyl)methyl]piperazine
CID 3398126
1-[1,3-benzodioxol-5-yl-(2-ethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 4035445
1-[1,3-benzodioxol-5-yl-(5-fluoro-2-methoxyphenyl)methyl]-1,4-diazepane
CID 3817193
1-[1,3-benzodioxol-5-yl-(2,4-dimethoxyphenyl)methyl]-1,4-diazepane
CID 3714550
2,3-dihydro-1,4-benzodioxin-6-yl-(2-methoxyphenyl)methanamine
CID 43186674
1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]-2-pyridinyl]ethanone
CID 147471865
1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol
CID 6917732
6-[(S)-(4-fluorophenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol
CID 92857334
1-[1,3-benzodioxol-5-yl-[2-(trifluoromethyl)phenyl]methyl]piperazine
CID 3275679
5-[1-chloro-2-(2-methoxyphenyl)ethyl]-1,3-benzodioxole
CID 63017209
5-[(1S)-1-(2-methoxyphenyl)-5-phenylpentyl]-1,3-benzodioxole
CID 167679878
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 30673567

Frequently Asked Questions

What is the IUPAC name of 4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine?
The IUPAC name of 4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine (CID 135368630) is 4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine.
What is the SMILES notation for 4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine?
The canonical SMILES for 4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine is COc1ccccc1C(c1ccc2c(c1)OCO2)N1CCOCC1.
What is the InChIKey of 4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine?
The InChIKey is MFZGZVWQYYLZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-21-16-5-3-2-4-15(16)19(20-8-10-22-11-9-20)14-6-7-17-18(12-14)24-13-23-17/h2-7,12,19H,8-11,13H2,1H3.
What are the key properties of 4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine?
4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine has a molecular weight of 327.38 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1,3-benzodioxol-5-yl-(2-methoxyphenyl)methyl]morpholine is sourced from PubChem (CID 135368630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).