1-(aminomethyl)-6-(furan-2-yl)naphthalen-2-ol

C15H13NO2 — CID 169449369

IUPAC1-(aminomethyl)-6-(furan-2-yl)naphthalen-2-ol
SMILESNCc1c(O)ccc2cc(-c3ccco3)ccc12
InChIInChI=1S/C15H13NO2/c16-9-13-12-5-3-11(15-2-1-7-18-15)8-10(12)4-6-14(13)17/h1-8,17H,9,16H2
InChIKeyKICCYKQVIUNTQN-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.26
Rot. Bonds2

About 1-(aminomethyl)-6-(furan-2-yl)naphthalen-2-ol

1-(aminomethyl)-6-(furan-2-yl)naphthalen-2-ol (PubChem CID 169449369) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(aminomethyl)-6-(furan-2-yl)naphthalen-2-ol.

Molecular Properties

Compound Name1-(aminomethyl)-6-(furan-2-yl)naphthalen-2-ol
PubChem CID169449369
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name1-(aminomethyl)-6-(furan-2-yl)naphthalen-2-ol
SMILESNCc1c(O)ccc2cc(-c3ccco3)ccc12
InChIInChI=1S/C15H13NO2/c16-9-13-12-5-3-11(15-2-1-7-18-15)8-10(12)4-6-14(13)17/h1-8,17H,9,16H2
InChIKeyKICCYKQVIUNTQN-UHFFFAOYSA-N
XLogP3.26
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.26
H-Bond Donors ≤ 52
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-(aminomethyl)-6-(furan-2-yl)naphthalen-2-ol?
The IUPAC name of 1-(aminomethyl)-6-(furan-2-yl)naphthalen-2-ol (CID 169449369) is 1-(aminomethyl)-6-(furan-2-yl)naphthalen-2-ol.
What is the SMILES notation for 1-(aminomethyl)-6-(furan-2-yl)naphthalen-2-ol?
The canonical SMILES for 1-(aminomethyl)-6-(furan-2-yl)naphthalen-2-ol is NCc1c(O)ccc2cc(-c3ccco3)ccc12.
What is the InChIKey of 1-(aminomethyl)-6-(furan-2-yl)naphthalen-2-ol?
The InChIKey is KICCYKQVIUNTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c16-9-13-12-5-3-11(15-2-1-7-18-15)8-10(12)4-6-14(13)17/h1-8,17H,9,16H2.
What are the key properties of 1-(aminomethyl)-6-(furan-2-yl)naphthalen-2-ol?
1-(aminomethyl)-6-(furan-2-yl)naphthalen-2-ol has a molecular weight of 239.27 g/mol, XLogP of 3.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-6-(furan-2-yl)naphthalen-2-ol is sourced from PubChem (CID 169449369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).