2-(benzylamino)-2-methylpropan-1-ol;hydrochloride

C11H18ClNO — CID 17289516

IUPAC2-(benzylamino)-2-methylpropan-1-ol;hydrochloride
SMILESCC(C)(CO)NCc1ccccc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-11(2,9-13)12-8-10-6-4-3-5-7-10;/h3-7,12-13H,8-9H2,1-2H3;1H
InChIKeyASCSNMHYNROASE-UHFFFAOYSA-N
MW215.72 g/mol
LogP1.97
Rot. Bonds4

About 2-(benzylamino)-2-methylpropan-1-ol;hydrochloride

2-(benzylamino)-2-methylpropan-1-ol;hydrochloride (PubChem CID 17289516) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is 2-(benzylamino)-2-methylpropan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-(benzylamino)-2-methylpropan-1-ol;hydrochloride
PubChem CID17289516
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Name2-(benzylamino)-2-methylpropan-1-ol;hydrochloride
SMILESCC(C)(CO)NCc1ccccc1.Cl
InChIInChI=1S/C11H17NO.ClH/c1-11(2,9-13)12-8-10-6-4-3-5-7-10;/h3-7,12-13H,8-9H2,1-2H3;1H
InChIKeyASCSNMHYNROASE-UHFFFAOYSA-N
XLogP1.97
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-methylpropan-1-ol;hydrochloride?
The IUPAC name of 2-(benzylamino)-2-methylpropan-1-ol;hydrochloride (CID 17289516) is 2-(benzylamino)-2-methylpropan-1-ol;hydrochloride.
What is the SMILES notation for 2-(benzylamino)-2-methylpropan-1-ol;hydrochloride?
The canonical SMILES for 2-(benzylamino)-2-methylpropan-1-ol;hydrochloride is CC(C)(CO)NCc1ccccc1.Cl.
What is the InChIKey of 2-(benzylamino)-2-methylpropan-1-ol;hydrochloride?
The InChIKey is ASCSNMHYNROASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-11(2,9-13)12-8-10-6-4-3-5-7-10;/h3-7,12-13H,8-9H2,1-2H3;1H.
What are the key properties of 2-(benzylamino)-2-methylpropan-1-ol;hydrochloride?
2-(benzylamino)-2-methylpropan-1-ol;hydrochloride has a molecular weight of 215.72 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-methylpropan-1-ol;hydrochloride is sourced from PubChem (CID 17289516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).