8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

C20H23NO3 — CID 136544060

IUPAC8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)C(NCc1cccc3c1OCCCO3)CCC2
InChIInChI=1S/C20H23NO3/c22-16-9-8-14-4-1-6-18(17(14)12-16)21-13-15-5-2-7-19-20(15)24-11-3-10-23-19/h2,5,7-9,12,18,21-22H,1,3-4,6,10-11,13H2
InChIKeySCYVMFUTHJHRIM-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.72
Rot. Bonds3

About 8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol

8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 136544060) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID136544060
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESOc1ccc2c(c1)C(NCc1cccc3c1OCCCO3)CCC2
InChIInChI=1S/C20H23NO3/c22-16-9-8-14-4-1-6-18(17(14)12-16)21-13-15-5-2-7-19-20(15)24-11-3-10-23-19/h2,5,7-9,12,18,21-22H,1,3-4,6,10-11,13H2
InChIKeySCYVMFUTHJHRIM-UHFFFAOYSA-N
XLogP3.72
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

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Related Compounds

(7S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-4,5,6,7-tetrahydro-1H-indazol-7-amine
CID 97321886
N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 43583773
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[(1R)-7-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 124880687
4-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)cyclohexan-1-ol
CID 43583461
8-(hydroxyamino)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 103847281
8-[(4-hydroxy-2,2-dimethylbutyl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 106143367
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)thiolan-3-amine
CID 103701576
5-[(4-hydroxyphenyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114331480
[2-(2,3-dihydro-1,4-benzodioxin-5-ylmethylamino)cyclopentyl]methanol
CID 103700403
8-[(3,3-dimethylcyclobutyl)methylamino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 138043504
8-[[(E)-pent-3-enyl]amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 114090966
(2S)-2-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)propan-1-ol
CID 97030669

Frequently Asked Questions

What is the IUPAC name of 8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol (CID 136544060) is 8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol is Oc1ccc2c(c1)C(NCc1cccc3c1OCCCO3)CCC2.
What is the InChIKey of 8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is SCYVMFUTHJHRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-16-9-8-14-4-1-6-18(17(14)12-16)21-13-15-5-2-7-19-20(15)24-11-3-10-23-19/h2,5,7-9,12,18,21-22H,1,3-4,6,10-11,13H2.
What are the key properties of 8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol?
8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 325.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethylamino)-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 136544060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).