1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol

C18H25NO2 — CID 115281985

IUPAC1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol
SMILESCCC(C)N(CCOC)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C18H25NO2/c1-4-14(2)19(11-12-21-3)13-17-16-8-6-5-7-15(16)9-10-18(17)20/h5-10,14,20H,4,11-13H2,1-3H3
InChIKeyNRJAFSXHGQGICI-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.79
Rot. Bonds7

About 1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol

1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol (PubChem CID 115281985) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol
PubChem CID115281985
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol
SMILESCCC(C)N(CCOC)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C18H25NO2/c1-4-14(2)19(11-12-21-3)13-17-16-8-6-5-7-15(16)9-10-18(17)20/h5-10,14,20H,4,11-13H2,1-3H3
InChIKeyNRJAFSXHGQGICI-UHFFFAOYSA-N
XLogP3.79
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol (CID 115281985) is 1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol is CCC(C)N(CCOC)Cc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol?
The InChIKey is NRJAFSXHGQGICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-14(2)19(11-12-21-3)13-17-16-8-6-5-7-15(16)9-10-18(17)20/h5-10,14,20H,4,11-13H2,1-3H3.
What are the key properties of 1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol?
1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol has a molecular weight of 287.40 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[butan-2-yl(2-methoxyethyl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 115281985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).