4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol

C14H23NO2 — CID 90893051

IUPAC4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol
SMILESCCC(O)(c1ccc(O)cc1)C(C)CN(C)C
InChIInChI=1S/C14H23NO2/c1-5-14(17,11(2)10-15(3)4)12-6-8-13(16)9-7-12/h6-9,11,16-17H,5,10H2,1-4H3
InChIKeyNGUONHCWNWWHDR-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.19
Rot. Bonds5

About 4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol

4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol (PubChem CID 90893051) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol.

Molecular Properties

Compound Name4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol
PubChem CID90893051
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol
SMILESCCC(O)(c1ccc(O)cc1)C(C)CN(C)C
InChIInChI=1S/C14H23NO2/c1-5-14(17,11(2)10-15(3)4)12-6-8-13(16)9-7-12/h6-9,11,16-17H,5,10H2,1-4H3
InChIKeyNGUONHCWNWWHDR-UHFFFAOYSA-N
XLogP2.19
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol?
The IUPAC name of 4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol (CID 90893051) is 4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol.
What is the SMILES notation for 4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol?
The canonical SMILES for 4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol is CCC(O)(c1ccc(O)cc1)C(C)CN(C)C.
What is the InChIKey of 4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol?
The InChIKey is NGUONHCWNWWHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-14(17,11(2)10-15(3)4)12-6-8-13(16)9-7-12/h6-9,11,16-17H,5,10H2,1-4H3.
What are the key properties of 4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol?
4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol has a molecular weight of 237.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol is sourced from PubChem (CID 90893051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).