1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine

C16H23NO3 — CID 103802353

IUPAC1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
SMILESCOCCC1(CNCc2cccc3c2OCCO3)CC1
InChIInChI=1S/C16H23NO3/c1-18-8-7-16(5-6-16)12-17-11-13-3-2-4-14-15(13)20-10-9-19-14/h2-4,17H,5-12H2,1H3
InChIKeyFXSKPLBXBHYBBZ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.36
Rot. Bonds7

About 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine

1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine (PubChem CID 103802353) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
PubChem CID103802353
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
SMILESCOCCC1(CNCc2cccc3c2OCCO3)CC1
InChIInChI=1S/C16H23NO3/c1-18-8-7-16(5-6-16)12-17-11-13-3-2-4-14-15(13)20-10-9-19-14/h2-4,17H,5-12H2,1H3
InChIKeyFXSKPLBXBHYBBZ-UHFFFAOYSA-N
XLogP2.36
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802463
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802392
3-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]-2-methylaniline
CID 114112981
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266965
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)pentan-1-amine
CID 43583339
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103802421
1-(1H-indol-4-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802406
1-cyclopropyl-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)methanamine
CID 43583314
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-2-methylpropan-1-amine
CID 43583302
N-[[4-(4-chlorophenyl)oxan-4-yl]methyl]-1-(2,3-dihydro-1,4-benzodioxin-5-yl)methanamine
CID 47629990
1-[(1,3-benzodioxol-4-ylmethylamino)methyl]-N,N-dimethylcyclobutan-1-amine
CID 105415496
1-(1,3-benzodioxol-4-yl)-N-(2-methoxyethoxy)methanamine
CID 82711940

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine (CID 103802353) is 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine is COCCC1(CNCc2cccc3c2OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
The InChIKey is FXSKPLBXBHYBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-18-8-7-16(5-6-16)12-17-11-13-3-2-4-14-15(13)20-10-9-19-14/h2-4,17H,5-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine has a molecular weight of 277.36 g/mol, XLogP of 2.36, 7 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-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine is sourced from PubChem (CID 103802353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).