(6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol

C13H19NO2 — CID 143768992

IUPAC(6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
SMILESCCN(C)[C@H]1CCc2c(ccc(O)c2O)C1
InChIInChI=1S/C13H19NO2/c1-3-14(2)10-5-6-11-9(8-10)4-7-12(15)13(11)16/h4,7,10,15-16H,3,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeyAHWBPWJTJJZSFR-JTQLQIEISA-N
MW221.30 g/mol
LogP1.91
Rot. Bonds2

About (6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol

(6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol (PubChem CID 143768992) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol.

Molecular Properties

Compound Name(6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
PubChem CID143768992
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
SMILESCCN(C)[C@H]1CCc2c(ccc(O)c2O)C1
InChIInChI=1S/C13H19NO2/c1-3-14(2)10-5-6-11-9(8-10)4-7-12(15)13(11)16/h4,7,10,15-16H,3,5-6,8H2,1-2H3/t10-/m0/s1
InChIKeyAHWBPWJTJJZSFR-JTQLQIEISA-N
XLogP1.91
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide
CID 21392898
7-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 10512444
(6S)-6-[2-butoxyethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 15228242
N-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 143769051
(6S)-6-[6-[3-(4-hydroxyphenyl)propylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22877973
6-[6-[3-(3,4-dihydroxyphenyl)propylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22906017
(6S)-6-[6-[2-(4-aminophenyl)ethylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22877949
(6S)-6-[6-[2-(4-hydroxy-3-methylphenyl)ethylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22877944
(6S)-6-[6-[2-(3-chloro-4-hydroxyphenyl)ethylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol;dihydrobromide
CID 22878008
(6S)-6-[propyl-[6-(3-pyridin-3-ylpropylamino)hexyl]amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 70064510
6-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22906072
N-[4-[2-[2-(5,6-dihydroxy-1,2,3,4-tetrahydronaphthalen-2-yl)-2-hexylhydrazinyl]ethyl]phenyl]methanesulfonamide
CID 67716754

Frequently Asked Questions

What is the IUPAC name of (6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol?
The IUPAC name of (6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol (CID 143768992) is (6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol.
What is the SMILES notation for (6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol?
The canonical SMILES for (6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol is CCN(C)[C@H]1CCc2c(ccc(O)c2O)C1.
What is the InChIKey of (6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol?
The InChIKey is AHWBPWJTJJZSFR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NO2/c1-3-14(2)10-5-6-11-9(8-10)4-7-12(15)13(11)16/h4,7,10,15-16H,3,5-6,8H2,1-2H3/t10-/m0/s1.
What are the key properties of (6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol?
(6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol has a molecular weight of 221.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol is sourced from PubChem (CID 143768992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).