(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol

C13H21NO — CID 103912755

IUPAC(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
SMILESC[C@H](CO)NCC(C)(C)c1ccccc1
InChIInChI=1S/C13H21NO/c1-11(9-15)14-10-13(2,3)12-7-5-4-6-8-12/h4-8,11,14-15H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyWDNNGLBSCJVTEF-LLVKDONJSA-N
MW207.32 g/mol
LogP1.93
Rot. Bonds5

About (2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol

(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol (PubChem CID 103912755) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is (2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
PubChem CID103912755
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol
SMILESC[C@H](CO)NCC(C)(C)c1ccccc1
InChIInChI=1S/C13H21NO/c1-11(9-15)14-10-13(2,3)12-7-5-4-6-8-12/h4-8,11,14-15H,9-10H2,1-3H3/t11-/m1/s1
InChIKeyWDNNGLBSCJVTEF-LLVKDONJSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol?
The IUPAC name of (2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol (CID 103912755) is (2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol?
The canonical SMILES for (2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol is C[C@H](CO)NCC(C)(C)c1ccccc1.
What is the InChIKey of (2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol?
The InChIKey is WDNNGLBSCJVTEF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO/c1-11(9-15)14-10-13(2,3)12-7-5-4-6-8-12/h4-8,11,14-15H,9-10H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol?
(2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol has a molecular weight of 207.32 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methyl-2-phenylpropyl)amino]propan-1-ol is sourced from PubChem (CID 103912755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).