1-[dideuterio(diethylamino)methyl]naphthalen-2-ol

C15H19NO — CID 11401998

IUPAC1-[dideuterio(diethylamino)methyl]naphthalen-2-ol
SMILES[2H]C([2H])(c1c(O)ccc2ccccc12)N(CC)CC
InChIInChI=1S/C15H19NO/c1-3-16(4-2)11-14-13-8-6-5-7-12(13)9-10-15(14)17/h5-10,17H,3-4,11H2,1-2H3/i11D2
InChIKeyWXECJRDZWHLBGJ-ZWGOZCLVSA-N
MW231.34 g/mol
LogP3.39
Rot. Bonds4

About 1-[dideuterio(diethylamino)methyl]naphthalen-2-ol

1-[dideuterio(diethylamino)methyl]naphthalen-2-ol (PubChem CID 11401998) has the molecular formula C15H19NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 1-[dideuterio(diethylamino)methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[dideuterio(diethylamino)methyl]naphthalen-2-ol
PubChem CID11401998
Molecular FormulaC15H19NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name1-[dideuterio(diethylamino)methyl]naphthalen-2-ol
SMILES[2H]C([2H])(c1c(O)ccc2ccccc12)N(CC)CC
InChIInChI=1S/C15H19NO/c1-3-16(4-2)11-14-13-8-6-5-7-12(13)9-10-15(14)17/h5-10,17H,3-4,11H2,1-2H3/i11D2
InChIKeyWXECJRDZWHLBGJ-ZWGOZCLVSA-N
XLogP3.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-but-2-enyl]naphthalen-2-ol
CID 11564655
1-[[butan-2-yl(ethyl)amino]methyl]naphthalen-2-ol
CID 82977332
1-(2-hydroxyethyl)naphthalen-2-ol
CID 19602212
2-[(2-hydroxynaphthalen-1-yl)methyl-propylamino]acetic acid
CID 65065277
1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol
CID 78954360
3-[[ethyl-[[3-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalen-2-yl]methyl]amino]methyl]-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 101274388
1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol
CID 82983291
1-[2-(4-methylpiperazin-1-yl)ethyl]naphthalen-2-ol
CID 175567947
1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol
CID 15213459
1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol
CID 116651539
1-[(octylamino)methyl]naphthalen-2-ol
CID 44531481
1-[(2,2-dimethylpropylamino)methyl]naphthalen-2-ol
CID 61166416

Frequently Asked Questions

What is the IUPAC name of 1-[dideuterio(diethylamino)methyl]naphthalen-2-ol?
The IUPAC name of 1-[dideuterio(diethylamino)methyl]naphthalen-2-ol (CID 11401998) is 1-[dideuterio(diethylamino)methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[dideuterio(diethylamino)methyl]naphthalen-2-ol?
The canonical SMILES for 1-[dideuterio(diethylamino)methyl]naphthalen-2-ol is [2H]C([2H])(c1c(O)ccc2ccccc12)N(CC)CC.
What is the InChIKey of 1-[dideuterio(diethylamino)methyl]naphthalen-2-ol?
The InChIKey is WXECJRDZWHLBGJ-ZWGOZCLVSA-N. The full InChI is InChI=1S/C15H19NO/c1-3-16(4-2)11-14-13-8-6-5-7-12(13)9-10-15(14)17/h5-10,17H,3-4,11H2,1-2H3/i11D2.
What are the key properties of 1-[dideuterio(diethylamino)methyl]naphthalen-2-ol?
1-[dideuterio(diethylamino)methyl]naphthalen-2-ol has a molecular weight of 231.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dideuterio(diethylamino)methyl]naphthalen-2-ol is sourced from PubChem (CID 11401998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).