9-(ethylamino)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-3-ol

C15H19NO3 — CID 143631538

IUPAC9-(ethylamino)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-3-ol
SMILESCCNc1ccc(OC)c2c1C1C=CC(O)CC1O2
InChIInChI=1S/C15H19NO3/c1-3-16-11-6-7-12(18-2)15-14(11)10-5-4-9(17)8-13(10)19-15/h4-7,9-10,13,16-17H,3,8H2,1-2H3
InChIKeyLGMBSJJBHDCWNW-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.29
Rot. Bonds3

About 9-(ethylamino)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-3-ol

9-(ethylamino)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-3-ol (PubChem CID 143631538) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 9-(ethylamino)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-3-ol.

Molecular Properties

Compound Name9-(ethylamino)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-3-ol
PubChem CID143631538
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name9-(ethylamino)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-3-ol
SMILESCCNc1ccc(OC)c2c1C1C=CC(O)CC1O2
InChIInChI=1S/C15H19NO3/c1-3-16-11-6-7-12(18-2)15-14(11)10-5-4-9(17)8-13(10)19-15/h4-7,9-10,13,16-17H,3,8H2,1-2H3
InChIKeyLGMBSJJBHDCWNW-UHFFFAOYSA-N
XLogP2.29
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 155510731
2H,3H,6H,7H,8H-[1,4]dioxino[2,3-f]indole
CID 43617598
(5-Methoxy-3-methyl-1,2-dihydroindol-3-yl)methanol
CID 102413136
5-Methoxyindolin-6-ol
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(3R)-1,2,3,4-Tetrahydro-6,7-dimethoxy-3-quinolinol
CID 42625096
8-(2-Ethoxyphenyl)-2,2-difluoro-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol
CID 126595914
2,2-Difluoro-8-(2-propoxyphenyl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]quinolin-6-ol
CID 126596105
4-methoxy-2,3-dihydro-1H-indol-5-ol
CID 18459479
(2S)-1-(3,4-dimethoxy-2-methyl-8a,9-dihydro-4bH-carbazol-1-yl)propan-2-ol
CID 135022176
(2S,3S)-3-(3,4-dimethoxyanilino)-2-methyl-3-phenylpropan-1-ol
CID 135073003
5-Methoxy-6-((4-methylpentyl)oxy)indoline
CID 138059706
2-(3-Methoxy-4-((5-phenylpentyl)oxy)anilino)ethanol
CID 3028280

Frequently Asked Questions

What is the IUPAC name of 9-(ethylamino)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-3-ol?
The IUPAC name of 9-(ethylamino)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-3-ol (CID 143631538) is 9-(ethylamino)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-3-ol.
What is the SMILES notation for 9-(ethylamino)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-3-ol?
The canonical SMILES for 9-(ethylamino)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-3-ol is CCNc1ccc(OC)c2c1C1C=CC(O)CC1O2.
What is the InChIKey of 9-(ethylamino)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-3-ol?
The InChIKey is LGMBSJJBHDCWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-16-11-6-7-12(18-2)15-14(11)10-5-4-9(17)8-13(10)19-15/h4-7,9-10,13,16-17H,3,8H2,1-2H3.
What are the key properties of 9-(ethylamino)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-3-ol?
9-(ethylamino)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-3-ol has a molecular weight of 261.32 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(ethylamino)-6-methoxy-3,4,4a,9b-tetrahydrodibenzofuran-3-ol is sourced from PubChem (CID 143631538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).