1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol

C16H19NO3 — CID 61023804

IUPAC1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CNCC1COCCO1
InChIInChI=1S/C16H19NO3/c18-16-6-5-12-3-1-2-4-14(12)15(16)10-17-9-13-11-19-7-8-20-13/h1-6,13,17-18H,7-11H2
InChIKeyPLPAEHCQKSXAEA-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.05
Rot. Bonds4

About 1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol

1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol (PubChem CID 61023804) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol
PubChem CID61023804
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol
SMILESOc1ccc2ccccc2c1CNCC1COCCO1
InChIInChI=1S/C16H19NO3/c18-16-6-5-12-3-1-2-4-14(12)15(16)10-17-9-13-11-19-7-8-20-13/h1-6,13,17-18H,7-11H2
InChIKeyPLPAEHCQKSXAEA-UHFFFAOYSA-N
XLogP2.05
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-[(1,4-dioxan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 54907352
1-[[(3-hydroxycyclopentyl)methylamino]methyl]naphthalen-2-ol
CID 103270708
3-(anthracen-9-ylmethylamino)-4-[[(2S)-1,4,7,10,13,16-hexaoxacyclooctadec-2-yl]methylamino]cyclobut-3-ene-1,2-dione
CID 139039602
2-bromo-4-[(1,4-dioxan-2-ylmethylamino)methyl]phenol
CID 60962286
1-(1,4-dioxan-2-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 60960687
2-[(oxolan-2-ylmethylamino)methyl]benzene-1,3-diol
CID 45093757
1-(1,4-dioxan-2-yl)-N-[(4-iodophenyl)methyl]methanamine
CID 65477569
1-[[(2-methylphenyl)methylamino]methyl]naphthalen-2-ol
CID 60912931
N-(1,4-dioxan-2-ylmethyl)-2-hydroxybenzamide
CID 54908963
N-(1,4-dioxan-2-ylmethyl)-2-phenylsulfanylethanamine
CID 79222543
1-(1,4-dioxan-2-yl)-N-[(8-methoxyquinolin-2-yl)methyl]methanamine
CID 80702051
1-(oxolan-2-yl)-N-[[2-(oxolan-2-ylmethoxy)naphthalen-1-yl]methyl]methanamine
CID 54847849

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol?
The IUPAC name of 1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol (CID 61023804) is 1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol is Oc1ccc2ccccc2c1CNCC1COCCO1.
What is the InChIKey of 1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol?
The InChIKey is PLPAEHCQKSXAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c18-16-6-5-12-3-1-2-4-14(12)15(16)10-17-9-13-11-19-7-8-20-13/h1-6,13,17-18H,7-11H2.
What are the key properties of 1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol?
1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol has a molecular weight of 273.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dioxan-2-ylmethylamino)methyl]naphthalen-2-ol is sourced from PubChem (CID 61023804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).