6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine

C14H21NO5 — CID 103400876

IUPAC6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCOCCOCCCOc1cc2c(cc1N)OCCO2
InChIInChI=1S/C14H21NO5/c1-16-5-6-17-3-2-4-18-12-10-14-13(9-11(12)15)19-7-8-20-14/h9-10H,2-8,15H2,1H3
InChIKeyQVMPPBKUYIAZHF-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.47
Rot. Bonds8

About 6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine

6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine (PubChem CID 103400876) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine.

Molecular Properties

Compound Name6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
PubChem CID103400876
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
SMILESCOCCOCCCOc1cc2c(cc1N)OCCO2
InChIInChI=1S/C14H21NO5/c1-16-5-6-17-3-2-4-18-12-10-14-13(9-11(12)15)19-7-8-20-14/h9-10H,2-8,15H2,1H3
InChIKeyQVMPPBKUYIAZHF-UHFFFAOYSA-N
XLogP1.47
TPSA72.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-propoxy-2,3-dihydro-1,4-benzodioxin-7-amine
CID 43247834
6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 112587056
6-(4,4,4-trifluorobutoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 82789711
4-bromo-2-[3-(2-methoxyethoxy)propoxy]aniline
CID 103400937
6-[2-(3-methoxypropoxy)ethoxy]-1,3-benzodioxole-5-carboxylic acid
CID 103179970
6-(cyclopentylmethoxy)-2,3-dihydro-1,4-benzodioxin-7-amine
CID 66322144
7-(2-butoxyethoxymethyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43260155
4-amino-3-[3-(2-methoxyethoxy)propoxy]-N,N-dimethylbenzamide
CID 103400871
6-amino-7-[3-(2-methoxyethoxy)propoxy]-3,4-dihydro-1H-quinolin-2-one
CID 103401017
5-bromo-4-[3-(2-methoxyethoxy)propoxy]-2-methylaniline
CID 114048423
5-fluoro-2-[2-(3-methoxypropoxy)ethoxy]-4-propoxyaniline
CID 103176795
5-chloro-2-[2-(3-methoxypropoxy)ethoxy]aniline
CID 103176787

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine?
The IUPAC name of 6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine (CID 103400876) is 6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine.
What is the SMILES notation for 6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine?
The canonical SMILES for 6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine is COCCOCCCOc1cc2c(cc1N)OCCO2.
What is the InChIKey of 6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine?
The InChIKey is QVMPPBKUYIAZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-16-5-6-17-3-2-4-18-12-10-14-13(9-11(12)15)19-7-8-20-14/h9-10H,2-8,15H2,1H3.
What are the key properties of 6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine?
6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine has a molecular weight of 283.32 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-methoxyethoxy)propoxy]-2,3-dihydro-1,4-benzodioxin-7-amine is sourced from PubChem (CID 103400876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).