N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine

C15H21NO3 — CID 54906782

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine
SMILESc1cc2c(cc1CNCC1CCCOC1)OCCO2
InChIInChI=1S/C15H21NO3/c1-2-13(11-17-5-1)10-16-9-12-3-4-14-15(8-12)19-7-6-18-14/h3-4,8,13,16H,1-2,5-7,9-11H2
InChIKeyLGZBQPZVKXQTMC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.97
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine (PubChem CID 54906782) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine
PubChem CID54906782
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine
SMILESc1cc2c(cc1CNCC1CCCOC1)OCCO2
InChIInChI=1S/C15H21NO3/c1-2-13(11-17-5-1)10-16-9-12-3-4-14-15(8-12)19-7-6-18-14/h3-4,8,13,16H,1-2,5-7,9-11H2
InChIKeyLGZBQPZVKXQTMC-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)methanamine
CID 60870105
N-[(3,4-dichlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906440
N-[(3,4-dimethylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 54906123
N-[(4-cyclopropylphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 79978645
3-[(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)methyl]cyclobutan-1-amine
CID 115214038
N-[(3-bromo-4-chlorophenyl)methyl]-1-(oxan-3-yl)methanamine
CID 83235438
N,N-diethyl-4-[(oxan-3-ylmethylamino)methyl]aniline
CID 61019907
1-(oxan-3-yl)-N-[(3,4,5-trifluorophenyl)methyl]methanamine
CID 55147927
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(1,1-dioxothiolan-2-yl)methanamine
CID 81038606
N-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]-1-(oxan-3-yl)methanamine
CID 61019678
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-1-(oxan-3-yl)methanamine
CID 115587274

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine (CID 54906782) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine is c1cc2c(cc1CNCC1CCCOC1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine?
The InChIKey is LGZBQPZVKXQTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-13(11-17-5-1)10-16-9-12-3-4-14-15(8-12)19-7-6-18-14/h3-4,8,13,16H,1-2,5-7,9-11H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine has a molecular weight of 263.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 54906782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).