N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine

C15H23NO2 — CID 62117418

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine
SMILESCCCC(CC)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H23NO2/c1-3-5-13(4-2)16-11-12-6-7-14-15(10-12)18-9-8-17-14/h6-7,10,13,16H,3-5,8-9,11H2,1-2H3
InChIKeyBPHQVYHNWVQFBJ-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.13
Rot. Bonds6

About N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine (PubChem CID 62117418) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine
PubChem CID62117418
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine
SMILESCCCC(CC)NCc1ccc2c(c1)OCCO2
InChIInChI=1S/C15H23NO2/c1-3-5-13(4-2)16-11-12-6-7-14-15(10-12)18-9-8-17-14/h6-7,10,13,16H,3-5,8-9,11H2,1-2H3
InChIKeyBPHQVYHNWVQFBJ-UHFFFAOYSA-N
XLogP3.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-phenylbutan-1-amine
CID 17156616
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)pentanoic acid
CID 65054986
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-ethylsulfanylbutan-2-amine
CID 115660394
ethyl 2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)propanoate
CID 61498261
N-(naphthalen-2-ylmethyl)hexan-3-amine
CID 63477604
2-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82946011
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]hexan-3-amine
CID 55033117
2-(1,3-benzodioxol-5-ylmethylamino)butanenitrile
CID 62906635
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)thiohydroxylamine
CID 163890520
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-ethylbutanamide
CID 47097422
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(oxolan-3-yl)ethanamine
CID 115655111

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine (CID 62117418) is N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine is CCCC(CC)NCc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine?
The InChIKey is BPHQVYHNWVQFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-3-5-13(4-2)16-11-12-6-7-14-15(10-12)18-9-8-17-14/h6-7,10,13,16H,3-5,8-9,11H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine has a molecular weight of 249.35 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)hexan-3-amine is sourced from PubChem (CID 62117418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).