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

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Related Compounds

(2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol
CID 59958915
3-hydroxy-3-(4-hydroxyphenyl)-2-methylpentanoic acid
CID 62396805
(2R,3R)-1-(dimethylamino)-2-methyl-3-(3-methylsulfanylphenyl)pentan-3-ol;hydrochloride
CID 162309732
methyl 3-hydroxy-3-(4-hydroxyphenyl)-2-methylpentanoate
CID 62393285
(2S,3R)-4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-ol
CID 688064
3-[(2R,3R)-1-(dimethylamino)-3-hydroxy-2-methylpentan-3-yl]phenol;methane;(2R)-2-[4-(2-methylpropyl)phenyl]propanoic acid
CID 161129604
1-(dimethylamino)-2-methylpentane-3,3-diol
CID 141326424
ethyl 2-fluoro-3-hydroxy-3-(4-hydroxyphenyl)pentanoate
CID 79366102
3-[(2R,3R)-4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol;hydrochloride
CID 70159443
(2R,3R)-4-(dimethylamino)-3-methyl-2-phenylbutan-2-ol
CID 14962367
(2S,3R)-3-deuteriooxy-N,N,2-trimethyl-3,4-diphenylbutan-1-amine
CID 87815163
2-methyl-3-[4-(trifluoromethyl)phenyl]pentan-3-ol
CID 62788141

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).