1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride

C11H15ClN2O — CID 155977769

IUPAC1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1ccc2oncc2c1.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-8(12-2)5-9-3-4-11-10(6-9)7-13-14-11;/h3-4,6-8,12H,5H2,1-2H3;1H
InChIKeyVNDIIXNUGMBVTN-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.40
Rot. Bonds3

About 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride

1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride (PubChem CID 155977769) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride
PubChem CID155977769
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride
SMILESCNC(C)Cc1ccc2oncc2c1.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-8(12-2)5-9-3-4-11-10(6-9)7-13-14-11;/h3-4,6-8,12H,5H2,1-2H3;1H
InChIKeyVNDIIXNUGMBVTN-UHFFFAOYSA-N
XLogP2.40
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride (CID 155977769) is 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride is CNC(C)Cc1ccc2oncc2c1.Cl.
What is the InChIKey of 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride?
The InChIKey is VNDIIXNUGMBVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c1-8(12-2)5-9-3-4-11-10(6-9)7-13-14-11;/h3-4,6-8,12H,5H2,1-2H3;1H.
What are the key properties of 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride?
1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-benzoxazol-5-yl)-N-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 155977769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).