N-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol

C14H23NO2 — CID 143769051

IUPACN-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol
SMILESCC1CCc2c(ccc(O)c2O)C1.CCNC
InChIInChI=1S/C11H14O2.C3H9N/c1-7-2-4-9-8(6-7)3-5-10(12)11(9)13;1-3-4-2/h3,5,7,12-13H,2,4,6H2,1H3;4H,3H2,1-2H3
InChIKeyLOCQUSMENNWDKY-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.45
Rot. Bonds1

About N-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol

N-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol (PubChem CID 143769051) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol.

Molecular Properties

Compound NameN-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol
PubChem CID143769051
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol
SMILESCC1CCc2c(ccc(O)c2O)C1.CCNC
InChIInChI=1S/C11H14O2.C3H9N/c1-7-2-4-9-8(6-7)3-5-10(12)11(9)13;1-3-4-2/h3,5,7,12-13H,2,4,6H2,1H3;4H,3H2,1-2H3
InChIKeyLOCQUSMENNWDKY-UHFFFAOYSA-N
XLogP2.45
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.45
H-Bond Donors ≤ 53
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

1,6-dimethyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 130033796
(6S)-6-[ethyl(methyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 143768992
6-(diethylamino)-5,6,7,8-tetrahydronaphthalene-1,2-diol;hydroiodide
CID 21392898
(6S)-6-[2-butoxyethyl(propyl)amino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 15228242
(7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
CID 143917287
(1R,3aR,9bS)-1-methyl-3-propyl-1,2,3a,4,5,9b-hexahydrobenzo[e]indole-6,7-diol
CID 100948188
(11aR)-8-ethyl-5,5a,6,7,8,9,10,11,11a,12-decahydrocycloocta[g]naphthalene-1,2-diol
CID 143768999
3,4-dihydro-1H-isochromene-5,6-diol
CID 70279711
(6S)-6-[6-[2-(4-hydroxy-3-methylphenyl)ethylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22877944
N-methylethanamine;7-methyl-5,6,7,8,9,10,11,12-octahydrobenzo[10]annulene
CID 177367040
(10aR)-1-(2-hydroxyethyl)-3,4,4a,5,10,10a-hexahydro-2H-benzo[g]quinoline-6,7-diol
CID 118510320
(6S)-6-[6-[3-(4-hydroxyphenyl)propylamino]hexyl-propylamino]-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 22877973

Frequently Asked Questions

What is the IUPAC name of N-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol?
The IUPAC name of N-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol (CID 143769051) is N-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol.
What is the SMILES notation for N-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol?
The canonical SMILES for N-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol is CC1CCc2c(ccc(O)c2O)C1.CCNC.
What is the InChIKey of N-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol?
The InChIKey is LOCQUSMENNWDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2.C3H9N/c1-7-2-4-9-8(6-7)3-5-10(12)11(9)13;1-3-4-2/h3,5,7,12-13H,2,4,6H2,1H3;4H,3H2,1-2H3.
What are the key properties of N-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol?
N-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol has a molecular weight of 237.34 g/mol, XLogP of 2.45, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanamine;6-methyl-5,6,7,8-tetrahydronaphthalene-1,2-diol is sourced from PubChem (CID 143769051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).