1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol

C17H23NO — CID 78954360

IUPAC1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol
SMILESCCC(C)CN(C)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C17H23NO/c1-4-13(2)11-18(3)12-16-15-8-6-5-7-14(15)9-10-17(16)19/h5-10,13,19H,4,11-12H2,1-3H3
InChIKeyQUXGJOHAXDSJCY-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.02
Rot. Bonds5

About 1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol

1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol (PubChem CID 78954360) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol
PubChem CID78954360
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol
SMILESCCC(C)CN(C)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C17H23NO/c1-4-13(2)11-18(3)12-16-15-8-6-5-7-14(15)9-10-17(16)19/h5-10,13,19H,4,11-12H2,1-3H3
InChIKeyQUXGJOHAXDSJCY-UHFFFAOYSA-N
XLogP4.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.02
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-[[butan-2-yl(ethyl)amino]methyl]naphthalen-2-ol
CID 82977332
1-[[2-ethoxyethyl(methyl)amino]methyl]naphthalen-2-ol
CID 82983291
1-[[methyl(2-methylsulfonylethyl)amino]methyl]naphthalen-2-ol
CID 78924775
1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol
CID 115281985
1-[[methyl(oxan-4-ylmethyl)amino]methyl]naphthalen-2-ol
CID 82964387
1-(2-amino-4-methylpentyl)naphthalen-2-ol
CID 55112516
butan-2-yloxy-[(2-hydroxynaphthalen-1-yl)methyl]phosphinic acid
CID 87175695
1-[[(2-amino-1-cyclopropylethyl)-methylamino]methyl]naphthalen-2-ol
CID 116651539
3-[[methyl(2-methylbutyl)amino]methyl]-1-benzothiophene-2-carbohydrazide
CID 63571772
[2-[[methyl(2-methylbutyl)amino]methyl]phenyl]boronic acid
CID 54971152
1-[[methyl(piperidin-2-ylmethyl)amino]methyl]naphthalen-2-ol
CID 106622937
1-[dideuterio(diethylamino)methyl]naphthalen-2-ol
CID 11401998

Frequently Asked Questions

What is the IUPAC name of 1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol (CID 78954360) is 1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol is CCC(C)CN(C)Cc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol?
The InChIKey is QUXGJOHAXDSJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-13(2)11-18(3)12-16-15-8-6-5-7-14(15)9-10-17(16)19/h5-10,13,19H,4,11-12H2,1-3H3.
What are the key properties of 1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol?
1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol has a molecular weight of 257.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[methyl(2-methylbutyl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 78954360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).