N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine

C16H23NO3 — CID 79368351

IUPACN-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCOC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H23NO3/c1-11(2)17-10-13-5-6-20-16(13)12-3-4-14-15(9-12)19-8-7-18-14/h3-4,9,11,13,16-17H,5-8,10H2,1-2H3
InChIKeyVAFQFWXVTHXSCQ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.53
Rot. Bonds4

About N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine

N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 79368351) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID79368351
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC NameN-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCOC1c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H23NO3/c1-11(2)17-10-13-5-6-20-16(13)12-3-4-14-15(9-12)19-8-7-18-14/h3-4,9,11,13,16-17H,5-8,10H2,1-2H3
InChIKeyVAFQFWXVTHXSCQ-UHFFFAOYSA-N
XLogP2.53
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-(3-chlorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368166
N-[[2-(4-bromo-3-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 81441664
N-[[2-(4-ethylphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79367506
N-[[2-(3-propan-2-yloxyphenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368826
N-[[2-(3,4,5-trifluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368925
N-[[2-(4-bromo-3-methylphenyl)oxan-3-yl]methyl]propan-2-amine
CID 79365469
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 71929312
N-[[2-(5-bromo-2-fluorophenyl)oxolan-3-yl]methyl]propan-2-amine
CID 79368537
N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 136528888
N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine
CID 79365651
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96510824
2-methyl-N-[(2-naphthalen-2-yloxolan-3-yl)methyl]propan-2-amine
CID 79370307

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine (CID 79368351) is N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1CCOC1c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is VAFQFWXVTHXSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11(2)17-10-13-5-6-20-16(13)12-3-4-14-15(9-12)19-8-7-18-14/h3-4,9,11,13,16-17H,5-8,10H2,1-2H3.
What are the key properties of N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine?
N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 277.36 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79368351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).