(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine

C19H23NO4 — CID 95586350

IUPAC(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(OC)c(CN[C@H](C)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C19H23NO4/c1-13(14-4-6-18-19(11-14)24-9-8-23-18)20-12-15-10-16(21-2)5-7-17(15)22-3/h4-7,10-11,13,20H,8-9,12H2,1-3H3/t13-/m1/s1
InChIKeyZIYHXODBGGZXGM-CYBMUJFWSA-N
MW329.40 g/mol
LogP3.33
Rot. Bonds6

About (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine

(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine (PubChem CID 95586350) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine
PubChem CID95586350
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine
SMILESCOc1ccc(OC)c(CN[C@H](C)c2ccc3c(c2)OCCO3)c1
InChIInChI=1S/C19H23NO4/c1-13(14-4-6-18-19(11-14)24-9-8-23-18)20-12-15-10-16(21-2)5-7-17(15)22-3/h4-7,10-11,13,20H,8-9,12H2,1-3H3/t13-/m1/s1
InChIKeyZIYHXODBGGZXGM-CYBMUJFWSA-N
XLogP3.33
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine with MolForge

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Related Compounds

N-[(5-bromo-2-methoxyphenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
CID 134029103
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2,5-dimethoxyphenyl)propanenitrile
CID 82141867
N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 43222018
(1S)-N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 97088707
N-[[5-methoxy-2-(methoxymethoxy)phenyl]methyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanamine
CID 71912172
N-[(2,5-dimethoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43400255
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylpropan-1-amine
CID 43177362
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 9116010
1-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]-3-(2,5-dimethoxyphenyl)thiourea
CID 40655610
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(3-methoxyphenyl)acetamide
CID 18114855
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(6-methoxynaphthalen-2-yl)ethanamine
CID 112831404
N-[(2,5-dimethoxyphenyl)methyl]butan-2-amine
CID 43177332

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine (CID 95586350) is (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine is COc1ccc(OC)c(CN[C@H](C)c2ccc3c(c2)OCCO3)c1.
What is the InChIKey of (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine?
The InChIKey is ZIYHXODBGGZXGM-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23NO4/c1-13(14-4-6-18-19(11-14)24-9-8-23-18)20-12-15-10-16(21-2)5-7-17(15)22-3/h4-7,10-11,13,20H,8-9,12H2,1-3H3/t13-/m1/s1.
What are the key properties of (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine?
(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine has a molecular weight of 329.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2,5-dimethoxyphenyl)methyl]ethanamine is sourced from PubChem (CID 95586350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).