(2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol

C14H25NO2 — CID 142838909

IUPAC(2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol
SMILESCCC(O)[C@H](C)CN(C)C.Oc1ccccc1
InChIInChI=1S/C8H19NO.C6H6O/c1-5-8(10)7(2)6-9(3)4;7-6-4-2-1-3-5-6/h7-8,10H,5-6H2,1-4H3;1-5,7H/t7-,8?;/m1./s1
InChIKeyNHBBRVHEFBANCT-PGMKYVDRSA-N
MW239.36 g/mol
LogP2.35
Rot. Bonds4

About (2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol

(2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol (PubChem CID 142838909) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol.

Molecular Properties

Compound Name(2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol
PubChem CID142838909
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol
SMILESCCC(O)[C@H](C)CN(C)C.Oc1ccccc1
InChIInChI=1S/C8H19NO.C6H6O/c1-5-8(10)7(2)6-9(3)4;7-6-4-2-1-3-5-6/h7-8,10H,5-6H2,1-4H3;1-5,7H/t7-,8?;/m1./s1
InChIKeyNHBBRVHEFBANCT-PGMKYVDRSA-N
XLogP2.35
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol?
The IUPAC name of (2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol (CID 142838909) is (2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol.
What is the SMILES notation for (2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol?
The canonical SMILES for (2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol is CCC(O)[C@H](C)CN(C)C.Oc1ccccc1.
What is the InChIKey of (2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol?
The InChIKey is NHBBRVHEFBANCT-PGMKYVDRSA-N. The full InChI is InChI=1S/C8H19NO.C6H6O/c1-5-8(10)7(2)6-9(3)4;7-6-4-2-1-3-5-6/h7-8,10H,5-6H2,1-4H3;1-5,7H/t7-,8?;/m1./s1.
What are the key properties of (2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol?
(2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol has a molecular weight of 239.36 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol is sourced from PubChem (CID 142838909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).