2-[1-bromo-6-(methylaminomethyl)naphthalen-2-yl]oxyacetonitrile

C14H13BrN2O — CID 69137550

IUPAC2-[1-bromo-6-(methylaminomethyl)naphthalen-2-yl]oxyacetonitrile
SMILESCNCc1ccc2c(Br)c(OCC#N)ccc2c1
InChIInChI=1S/C14H13BrN2O/c1-17-9-10-2-4-12-11(8-10)3-5-13(14(12)15)18-7-6-16/h2-5,8,17H,7,9H2,1H3
InChIKeyUSWBDJKNKNDTTC-UHFFFAOYSA-N
MW305.18 g/mol
LogP3.22
Rot. Bonds4

About 2-[1-bromo-6-(methylaminomethyl)naphthalen-2-yl]oxyacetonitrile

2-[1-bromo-6-(methylaminomethyl)naphthalen-2-yl]oxyacetonitrile (PubChem CID 69137550) has the molecular formula C14H13BrN2O and a molecular weight of 305.18 g/mol. Its IUPAC name is 2-[1-bromo-6-(methylaminomethyl)naphthalen-2-yl]oxyacetonitrile.

Molecular Properties

Compound Name2-[1-bromo-6-(methylaminomethyl)naphthalen-2-yl]oxyacetonitrile
PubChem CID69137550
Molecular FormulaC14H13BrN2O
Molecular Weight305.18 g/mol
Exact Mass304.02
IUPAC Name2-[1-bromo-6-(methylaminomethyl)naphthalen-2-yl]oxyacetonitrile
SMILESCNCc1ccc2c(Br)c(OCC#N)ccc2c1
InChIInChI=1S/C14H13BrN2O/c1-17-9-10-2-4-12-11(8-10)3-5-13(14(12)15)18-7-6-16/h2-5,8,17H,7,9H2,1H3
InChIKeyUSWBDJKNKNDTTC-UHFFFAOYSA-N
XLogP3.22
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.18
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-6-(methylaminomethyl)naphthalen-2-yl]oxyacetonitrile?
The IUPAC name of 2-[1-bromo-6-(methylaminomethyl)naphthalen-2-yl]oxyacetonitrile (CID 69137550) is 2-[1-bromo-6-(methylaminomethyl)naphthalen-2-yl]oxyacetonitrile.
What is the SMILES notation for 2-[1-bromo-6-(methylaminomethyl)naphthalen-2-yl]oxyacetonitrile?
The canonical SMILES for 2-[1-bromo-6-(methylaminomethyl)naphthalen-2-yl]oxyacetonitrile is CNCc1ccc2c(Br)c(OCC#N)ccc2c1.
What is the InChIKey of 2-[1-bromo-6-(methylaminomethyl)naphthalen-2-yl]oxyacetonitrile?
The InChIKey is USWBDJKNKNDTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O/c1-17-9-10-2-4-12-11(8-10)3-5-13(14(12)15)18-7-6-16/h2-5,8,17H,7,9H2,1H3.
What are the key properties of 2-[1-bromo-6-(methylaminomethyl)naphthalen-2-yl]oxyacetonitrile?
2-[1-bromo-6-(methylaminomethyl)naphthalen-2-yl]oxyacetonitrile has a molecular weight of 305.18 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-6-(methylaminomethyl)naphthalen-2-yl]oxyacetonitrile is sourced from PubChem (CID 69137550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).