2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-amine;hydrochloride

C16H28ClNO2 — CID 19380040

IUPAC2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-amine;hydrochloride
SMILESCC(C)(C)OOC(C)(C)c1ccc(C(C)(C)N)cc1.Cl
InChIInChI=1S/C16H27NO2.ClH/c1-14(2,3)18-19-16(6,7)13-10-8-12(9-11-13)15(4,5)17;/h8-11H,17H2,1-7H3;1H
InChIKeySUDPBDZXXZLWKH-UHFFFAOYSA-N
MW301.86 g/mol
LogP4.28
Rot. Bonds4

About 2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-amine;hydrochloride

2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-amine;hydrochloride (PubChem CID 19380040) has the molecular formula C16H28ClNO2 and a molecular weight of 301.86 g/mol. Its IUPAC name is 2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-amine;hydrochloride
PubChem CID19380040
Molecular FormulaC16H28ClNO2
Molecular Weight301.86 g/mol
Exact Mass301.18
IUPAC Name2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-amine;hydrochloride
SMILESCC(C)(C)OOC(C)(C)c1ccc(C(C)(C)N)cc1.Cl
InChIInChI=1S/C16H27NO2.ClH/c1-14(2,3)18-19-16(6,7)13-10-8-12(9-11-13)15(4,5)17;/h8-11H,17H2,1-7H3;1H
InChIKeySUDPBDZXXZLWKH-UHFFFAOYSA-N
XLogP4.28
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-amine;hydrochloride?
The IUPAC name of 2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-amine;hydrochloride (CID 19380040) is 2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-amine;hydrochloride.
What is the SMILES notation for 2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-amine;hydrochloride?
The canonical SMILES for 2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-amine;hydrochloride is CC(C)(C)OOC(C)(C)c1ccc(C(C)(C)N)cc1.Cl.
What is the InChIKey of 2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-amine;hydrochloride?
The InChIKey is SUDPBDZXXZLWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2.ClH/c1-14(2,3)18-19-16(6,7)13-10-8-12(9-11-13)15(4,5)17;/h8-11H,17H2,1-7H3;1H.
What are the key properties of 2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-amine;hydrochloride?
2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-amine;hydrochloride has a molecular weight of 301.86 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-tert-butylperoxypropan-2-yl)phenyl]propan-2-amine;hydrochloride is sourced from PubChem (CID 19380040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).