1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine

C16H23NO3 — CID 103802392

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
SMILESCOCCC1(CNCc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C16H23NO3/c1-18-7-6-16(4-5-16)12-17-11-13-2-3-14-15(10-13)20-9-8-19-14/h2-3,10,17H,4-9,11-12H2,1H3
InChIKeyGZCZFJYXPVWHGO-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.36
Rot. Bonds7

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine (PubChem CID 103802392) 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-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
PubChem CID103802392
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
SMILESCOCCC1(CNCc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C16H23NO3/c1-18-7-6-16(4-5-16)12-17-11-13-2-3-14-15(10-13)20-9-8-19-14/h2-3,10,17H,4-9,11-12H2,1H3
InChIKeyGZCZFJYXPVWHGO-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

N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-methoxyethanamine
CID 17056671
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802353
2-fluoro-4-[[[1-(2-methoxyethyl)cyclopropyl]methylamino]methyl]aniline
CID 114112982
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
CID 3710308
1-(3-bromophenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 103802419
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-(methoxymethyl)methanamine
CID 115258498
1-(furan-3-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine
CID 115735952
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 60870690
3-[(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)methyl]-3-hydroxy-1-(2-methoxyethyl)piperidin-2-one
CID 56755449
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1-thiophen-3-ylmethanamine
CID 115735920
1-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-N,2-N-dimethylpropane-1,2-diamine
CID 54913044
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-(4-methoxyphenyl)methanamine;hydrochloride
CID 17056681

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine (CID 103802392) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine is COCCC1(CNCc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
The InChIKey is GZCZFJYXPVWHGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-18-7-6-16(4-5-16)12-17-11-13-2-3-14-15(10-13)20-9-8-19-14/h2-3,10,17H,4-9,11-12H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine?
1-(2,3-dihydro-1,4-benzodioxin-6-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-6-yl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]methanamine is sourced from PubChem (CID 103802392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).