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

C13H21NO2 — CID 142658969

IUPAC2-[4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol
SMILESCC(CN(C)C)C(C)(O)c1ccccc1O
InChIInChI=1S/C13H21NO2/c1-10(9-14(3)4)13(2,16)11-7-5-6-8-12(11)15/h5-8,10,15-16H,9H2,1-4H3
InChIKeyPZEQOFIECCTMQL-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.80
Rot. Bonds4

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

2-[4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol (PubChem CID 142658969) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol.

Molecular Properties

Compound Name2-[4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol
PubChem CID142658969
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-[4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol
SMILESCC(CN(C)C)C(C)(O)c1ccccc1O
InChIInChI=1S/C13H21NO2/c1-10(9-14(3)4)13(2,16)11-7-5-6-8-12(11)15/h5-8,10,15-16H,9H2,1-4H3
InChIKeyPZEQOFIECCTMQL-UHFFFAOYSA-N
XLogP1.80
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
3-[(2R,3R)-4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol;hydrochloride
CID 70159443
2-[(2R,3R)-2-hydroxy-3-methylpent-4-en-2-yl]phenol
CID 14939211
2-(2,3-dimethylpentan-2-yl)phenol
CID 87923333
(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
CID 688064
2-[2-(dimethylamino)propan-2-yl]phenol
CID 66587179
2-(2,4-dimethylpentan-2-yl)phenol
CID 130033445
2-(4-amino-2-methylpentan-2-yl)phenol
CID 143655608
2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
CID 162321834
CID 172777673
CID 172777673
4-[1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol
CID 90893051
5-(dimethylamino)-3-(2-methoxyphenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69339291

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol?
The IUPAC name of 2-[4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol (CID 142658969) is 2-[4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol.
What is the SMILES notation for 2-[4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol?
The canonical SMILES for 2-[4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol is CC(CN(C)C)C(C)(O)c1ccccc1O.
What is the InChIKey of 2-[4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol?
The InChIKey is PZEQOFIECCTMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(9-14(3)4)13(2,16)11-7-5-6-8-12(11)15/h5-8,10,15-16H,9H2,1-4H3.
What are the key properties of 2-[4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol?
2-[4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol has a molecular weight of 223.32 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol is sourced from PubChem (CID 142658969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).