2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride

C10H14Cl2N2O — CID 91662919

IUPAC2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride
SMILESCc1cccc2oc(CCN)nc12.Cl.Cl
InChIInChI=1S/C10H12N2O.2ClH/c1-7-3-2-4-8-10(7)12-9(13-8)5-6-11;;/h2-4H,5-6,11H2,1H3;2*1H
InChIKeyQHVMZOWXJABPKG-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.48
Rot. Bonds2

About 2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride

2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride (PubChem CID 91662919) has the molecular formula C10H14Cl2N2O and a molecular weight of 249.14 g/mol. Its IUPAC name is 2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride
PubChem CID91662919
Molecular FormulaC10H14Cl2N2O
Molecular Weight249.14 g/mol
Exact Mass248.05
IUPAC Name2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride
SMILESCc1cccc2oc(CCN)nc12.Cl.Cl
InChIInChI=1S/C10H12N2O.2ClH/c1-7-3-2-4-8-10(7)12-9(13-8)5-6-11;;/h2-4H,5-6,11H2,1H3;2*1H
InChIKeyQHVMZOWXJABPKG-UHFFFAOYSA-N
XLogP2.48
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride (CID 91662919) is 2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride is Cc1cccc2oc(CCN)nc12.Cl.Cl.
What is the InChIKey of 2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride?
The InChIKey is QHVMZOWXJABPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.2ClH/c1-7-3-2-4-8-10(7)12-9(13-8)5-6-11;;/h2-4H,5-6,11H2,1H3;2*1H.
What are the key properties of 2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride?
2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride has a molecular weight of 249.14 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-benzoxazol-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 91662919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).