6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

C17H27NO2 — CID 63690691

IUPAC6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCCOCCN(CC)C1CCCc2ccccc2C1O
InChIInChI=1S/C17H27NO2/c1-3-18(12-13-20-4-2)16-11-7-9-14-8-5-6-10-15(14)17(16)19/h5-6,8,10,16-17,19H,3-4,7,9,11-13H2,1-2H3
InChIKeyKNBJTBIIVDNUGC-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.78
Rot. Bonds6

About 6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol

6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (PubChem CID 63690691) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.

Molecular Properties

Compound Name6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
PubChem CID63690691
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
SMILESCCOCCN(CC)C1CCCc2ccccc2C1O
InChIInChI=1S/C17H27NO2/c1-3-18(12-13-20-4-2)16-11-7-9-14-8-5-6-10-15(14)17(16)19/h5-6,8,10,16-17,19H,3-4,7,9,11-13H2,1-2H3
InChIKeyKNBJTBIIVDNUGC-UHFFFAOYSA-N
XLogP2.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.78
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-N-(2-ethoxyethyl)-6-N-ethyl-5-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63696126
6-N-(2-ethoxyethyl)-6-N-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 81058338
6-N-ethyl-6-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 43268680
(1S,2R)-2-(diethylamino)-2,3-dihydro-1H-inden-1-ol
CID 131856725
2-N-ethyl-2-N-(2-methoxyethyl)-1,2,3,4-tetrahydronaphthalene-1,2-diamine
CID 61447898
2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 81061768
trans-(1S,2S)-2-[2-ethoxyethyl(methyl)amino]cyclopentan-1-ol
CID 102734882
5-N-ethyl-6-N,6-N-dipropyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene-5,6-diamine
CID 63466737
6-[2-(2-hydroxyethoxy)ethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 79423614
2-N-(2-ethoxyethyl)-2-N-ethyl-1-N-methylcyclooctane-1,2-diamine
CID 63697025
ethyl (1R,2R)-1-hydroxy-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 10987788
3-[3-methoxypropyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]propan-1-ol
CID 111799443

Frequently Asked Questions

What is the IUPAC name of 6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The IUPAC name of 6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol (CID 63690691) is 6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol.
What is the SMILES notation for 6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The canonical SMILES for 6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is CCOCCN(CC)C1CCCc2ccccc2C1O.
What is the InChIKey of 6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
The InChIKey is KNBJTBIIVDNUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-18(12-13-20-4-2)16-11-7-9-14-8-5-6-10-15(14)17(16)19/h5-6,8,10,16-17,19H,3-4,7,9,11-13H2,1-2H3.
What are the key properties of 6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol?
6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol has a molecular weight of 277.41 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-ethoxyethyl(ethyl)amino]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol is sourced from PubChem (CID 63690691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).