3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine

C15H22N2O3 — CID 54765503

IUPAC3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine
SMILESCNCCC(c1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C15H22N2O3/c1-16-5-4-13(17-6-8-18-9-7-17)12-2-3-14-15(10-12)20-11-19-14/h2-3,10,13,16H,4-9,11H2,1H3
InChIKeyQMWJQVWQJJGZGE-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.40
Rot. Bonds5

About 3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine

3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine (PubChem CID 54765503) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine
PubChem CID54765503
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine
SMILESCNCCC(c1ccc2c(c1)OCO2)N1CCOCC1
InChIInChI=1S/C15H22N2O3/c1-16-5-4-13(17-6-8-18-9-7-17)12-2-3-14-15(10-12)20-11-19-14/h2-3,10,13,16H,4-9,11H2,1H3
InChIKeyQMWJQVWQJJGZGE-UHFFFAOYSA-N
XLogP1.40
TPSA42.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yl)-N-(ethylsulfamoyl)-2-morpholin-4-ylethanamine
CID 110626613
N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 7285809
N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-3,3-dimethylbutanamide
CID 7285774
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]pentanamide
CID 110287527
N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 29095184
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 52985984
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2,4,6-trimethylbenzenesulfonamide
CID 16810191
1-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylpropan-2-ol
CID 6917732
1-[(1R)-1-(1,3-benzodioxol-5-yl)butyl]piperazine;dihydrochloride
CID 171297110
phenyl N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]carbamate
CID 18574642
N-[2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-2-(4-chlorophenyl)acetamide
CID 22583873
N'-[(2R)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ylethyl]-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 29095166

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine (CID 54765503) is 3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine is CNCCC(c1ccc2c(c1)OCO2)N1CCOCC1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
The InChIKey is QMWJQVWQJJGZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16-5-4-13(17-6-8-18-9-7-17)12-2-3-14-15(10-12)20-11-19-14/h2-3,10,13,16H,4-9,11H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine?
3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine has a molecular weight of 278.35 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-methyl-3-morpholin-4-ylpropan-1-amine is sourced from PubChem (CID 54765503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).