6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

C16H25NO2 — CID 43183746

IUPAC6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCC(C)OCCOC1CCCc2ccccc2C1N
InChIInChI=1S/C16H25NO2/c1-12(2)18-10-11-19-15-9-5-7-13-6-3-4-8-14(13)16(15)17/h3-4,6,8,12,15-16H,5,7,9-11,17H2,1-2H3
InChIKeyOIOIQQHDFBMWGK-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.83
Rot. Bonds5

About 6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine

6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (PubChem CID 43183746) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.

Molecular Properties

Compound Name6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
PubChem CID43183746
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
SMILESCC(C)OCCOC1CCCc2ccccc2C1N
InChIInChI=1S/C16H25NO2/c1-12(2)18-10-11-19-15-9-5-7-13-6-3-4-8-14(13)16(15)17/h3-4,6,8,12,15-16H,5,7,9-11,17H2,1-2H3
InChIKeyOIOIQQHDFBMWGK-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-hexoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 43127864
6-cyclobutyloxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62141015
6-phenoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 16787660
N-methyl-6-[2-(2-methylpropoxy)ethoxy]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 106447263
6-N-butan-2-yl-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 43272852
6-(3,4-dimethylcyclohexyl)oxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 64745151
1-(2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 54453127
5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-ol
CID 13125681
(1S,2R)-2-(2-fluoroethoxy)-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 174048033
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
(1S,2R)-2-[8-[[(1S,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]octoxy]-2,3-dihydro-1H-inden-1-amine
CID 151204534
(1R,2R)-2-[10-[[(1R,2R)-1-amino-2,3-dihydro-1H-inden-2-yl]oxy]decoxy]-2,3-dihydro-1H-inden-1-amine
CID 146597119

Frequently Asked Questions

What is the IUPAC name of 6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The IUPAC name of 6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine (CID 43183746) is 6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine.
What is the SMILES notation for 6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The canonical SMILES for 6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is CC(C)OCCOC1CCCc2ccccc2C1N.
What is the InChIKey of 6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
The InChIKey is OIOIQQHDFBMWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-12(2)18-10-11-19-15-9-5-7-13-6-3-4-8-14(13)16(15)17/h3-4,6,8,12,15-16H,5,7,9-11,17H2,1-2H3.
What are the key properties of 6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine?
6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine has a molecular weight of 263.38 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-yloxyethoxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine is sourced from PubChem (CID 43183746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).