N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline

C17H19NO3 — CID 43672051

IUPACN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCc2cccc3c2OCCO3)c1
InChIInChI=1S/C17H19NO3/c1-19-12-13-4-2-6-15(10-13)18-11-14-5-3-7-16-17(14)21-9-8-20-16/h2-7,10,18H,8-9,11-12H2,1H3
InChIKeyZKFNTRASFVTVHE-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.22
Rot. Bonds5

About N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline

N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline (PubChem CID 43672051) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline
PubChem CID43672051
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline
SMILESCOCc1cccc(NCc2cccc3c2OCCO3)c1
InChIInChI=1S/C17H19NO3/c1-19-12-13-4-2-6-15(10-13)18-11-14-5-3-7-16-17(14)21-9-8-20-16/h2-7,10,18H,8-9,11-12H2,1H3
InChIKeyZKFNTRASFVTVHE-UHFFFAOYSA-N
XLogP3.22
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-(methoxymethyl)aniline
CID 43804284
[3-(1,3-benzodioxol-4-ylmethylamino)phenyl]methanol
CID 43714991
N-benzyl-3-(methoxymethyl)aniline
CID 43672166
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-3,4-dimethylaniline
CID 43583469
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4-fluoroaniline
CID 43583494
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-3-(methoxymethyl)aniline
CID 115756563
4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol
CID 43672155
3-[[3-(methoxymethyl)anilino]methyl]pyridine-2-carbonitrile
CID 62895073
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1-methylpyrazol-4-amine
CID 43583958
N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline
CID 104854025
3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43672260
3-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-4-methylaniline
CID 43583335

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline (CID 43672051) is N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline is COCc1cccc(NCc2cccc3c2OCCO3)c1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline?
The InChIKey is ZKFNTRASFVTVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-19-12-13-4-2-6-15(10-13)18-11-14-5-3-7-16-17(14)21-9-8-20-16/h2-7,10,18H,8-9,11-12H2,1H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline?
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline has a molecular weight of 285.34 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-3-(methoxymethyl)aniline is sourced from PubChem (CID 43672051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).