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

C17H23NO — CID 82977332

IUPAC1-[[butan-2-yl(ethyl)amino]methyl]naphthalen-2-ol
SMILESCCC(C)N(CC)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C17H23NO/c1-4-13(3)18(5-2)12-16-15-9-7-6-8-14(15)10-11-17(16)19/h6-11,13,19H,4-5,12H2,1-3H3
InChIKeyQEZRHYWHXHYMAM-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.17
Rot. Bonds5

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

1-[[butan-2-yl(ethyl)amino]methyl]naphthalen-2-ol (PubChem CID 82977332) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[[butan-2-yl(ethyl)amino]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name1-[[butan-2-yl(ethyl)amino]methyl]naphthalen-2-ol
PubChem CID82977332
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-[[butan-2-yl(ethyl)amino]methyl]naphthalen-2-ol
SMILESCCC(C)N(CC)Cc1c(O)ccc2ccccc12
InChIInChI=1S/C17H23NO/c1-4-13(3)18(5-2)12-16-15-9-7-6-8-14(15)10-11-17(16)19/h6-11,13,19H,4-5,12H2,1-3H3
InChIKeyQEZRHYWHXHYMAM-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
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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Frequently Asked Questions

What is the IUPAC name of 1-[[butan-2-yl(ethyl)amino]methyl]naphthalen-2-ol?
The IUPAC name of 1-[[butan-2-yl(ethyl)amino]methyl]naphthalen-2-ol (CID 82977332) is 1-[[butan-2-yl(ethyl)amino]methyl]naphthalen-2-ol.
What is the SMILES notation for 1-[[butan-2-yl(ethyl)amino]methyl]naphthalen-2-ol?
The canonical SMILES for 1-[[butan-2-yl(ethyl)amino]methyl]naphthalen-2-ol is CCC(C)N(CC)Cc1c(O)ccc2ccccc12.
What is the InChIKey of 1-[[butan-2-yl(ethyl)amino]methyl]naphthalen-2-ol?
The InChIKey is QEZRHYWHXHYMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-4-13(3)18(5-2)12-16-15-9-7-6-8-14(15)10-11-17(16)19/h6-11,13,19H,4-5,12H2,1-3H3.
What are the key properties of 1-[[butan-2-yl(ethyl)amino]methyl]naphthalen-2-ol?
1-[[butan-2-yl(ethyl)amino]methyl]naphthalen-2-ol has a molecular weight of 257.38 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[butan-2-yl(ethyl)amino]methyl]naphthalen-2-ol is sourced from PubChem (CID 82977332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).