2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol

C13H21NO — CID 117111875

IUPAC2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(N)c1ccc(C(C)(C)CO)cc1
InChIInChI=1S/C13H21NO/c1-12(2,9-15)10-5-7-11(8-6-10)13(3,4)14/h5-8,15H,9,14H2,1-4H3
InChIKeyDZISCPLAYPUACE-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.15
Rot. Bonds3

About 2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol

2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol (PubChem CID 117111875) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol
PubChem CID117111875
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol
SMILESCC(C)(N)c1ccc(C(C)(C)CO)cc1
InChIInChI=1S/C13H21NO/c1-12(2,9-15)10-5-7-11(8-6-10)13(3,4)14/h5-8,15H,9,14H2,1-4H3
InChIKeyDZISCPLAYPUACE-UHFFFAOYSA-N
XLogP2.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol?
The IUPAC name of 2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol (CID 117111875) is 2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol?
The canonical SMILES for 2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol is CC(C)(N)c1ccc(C(C)(C)CO)cc1.
What is the InChIKey of 2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol?
The InChIKey is DZISCPLAYPUACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-12(2,9-15)10-5-7-11(8-6-10)13(3,4)14/h5-8,15H,9,14H2,1-4H3.
What are the key properties of 2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol?
2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropan-2-yl)phenyl]-2-methylpropan-1-ol is sourced from PubChem (CID 117111875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).