1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine

C15H21NO3 — CID 65352612

IUPAC1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(C1CCOCC1)C1COc2ccccc2O1
InChIInChI=1S/C15H21NO3/c1-16-15(11-6-8-17-9-7-11)14-10-18-12-4-2-3-5-13(12)19-14/h2-5,11,14-16H,6-10H2,1H3
InChIKeyPJKMWHMWCDHVEY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.84
Rot. Bonds3

About 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 65352612) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID65352612
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(C1CCOCC1)C1COc2ccccc2O1
InChIInChI=1S/C15H21NO3/c1-16-15(11-6-8-17-9-7-11)14-10-18-12-4-2-3-5-13(12)19-14/h2-5,11,14-16H,6-10H2,1H3
InChIKeyPJKMWHMWCDHVEY-UHFFFAOYSA-N
XLogP1.84
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107136441
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-(oxan-4-yl)ethanamine
CID 65352240
[cyclohexyl(2,3-dihydro-1,4-benzodioxin-3-yl)methyl]hydrazine
CID 105230206
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 65351512
1-(2,3-dihydro-1H-inden-2-yl)-N-methyl-1-(oxan-4-yl)methanamine
CID 65410719
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methylbutan-1-amine
CID 65352769
(3S)-N-methyl-2,3-dihydro-1,4-benzodioxin-3-amine
CID 94841715
[2,3-dihydro-1-benzofuran-2-yl(oxan-4-yl)methyl]hydrazine
CID 105262895
3-(1-chloroethyl)-2,3-dihydro-1,4-benzodioxine
CID 91622126
N,N'-bis[1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethyl]ethane-1,2-diamine
CID 3051001
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,4,4-trimethylpentan-1-amine
CID 65352196
1-cyclopropyl-1-(3,4-dihydro-2H-chromen-4-yl)-N-methylmethanamine
CID 65412626

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine (CID 65352612) is 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(C1CCOCC1)C1COc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is PJKMWHMWCDHVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16-15(11-6-8-17-9-7-11)14-10-18-12-4-2-3-5-13(12)19-14/h2-5,11,14-16H,6-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 263.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 65352612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).