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

C14H25NO2 — CID 142838942

IUPAC(3R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol
SMILESCC[C@@H](O)C(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-LTTWWRRRSA-N
MW239.36 g/mol
LogP2.35
Rot. Bonds4

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

(3R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol (PubChem CID 142838942) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is (3R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol.

Molecular Properties

Compound Name(3R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol
PubChem CID142838942
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name(3R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol
SMILESCC[C@@H](O)C(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-LTTWWRRRSA-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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Related Compounds

(2R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol
CID 142838909
2-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol
CID 69412499
3-[(2R,3R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;methane
CID 159304421
3-[(2R)-1-(dimethylamino)-2-methylpentan-3-yl]phenol;hydrochloride
CID 69349289
phenol;propan-2-ylphosphane
CID 142173645
benzene;phenol;propane
CID 157176896
3-methylbutan-1-ol;phenol;ytterbium
CID 139987500
3-(3-hydroxy-2-methylpentyl)phenol
CID 19426978
3-[(2R)-4-(dimethylamino)-3-methylbutan-2-yl]phenol
CID 70853706
(2R)-N,N,2,3-tetramethylpentan-1-amine
CID 130182039
methanol;phenol;propane
CID 91268562
ethane-1,1-dithiol;ethane-1,2-dithiol;phenol
CID 158840178

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol?
The IUPAC name of (3R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol (CID 142838942) is (3R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol.
What is the SMILES notation for (3R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol?
The canonical SMILES for (3R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol is CC[C@@H](O)C(C)CN(C)C.Oc1ccccc1.
What is the InChIKey of (3R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol?
The InChIKey is NHBBRVHEFBANCT-LTTWWRRRSA-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 (3R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol?
(3R)-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 (3R)-1-(dimethylamino)-2-methylpentan-3-ol;phenol is sourced from PubChem (CID 142838942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).