4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol

C13H21NO2 — CID 117320433

IUPAC4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol
SMILESCN(C)CCc1ccc(O)c(CCCO)c1
InChIInChI=1S/C13H21NO2/c1-14(2)8-7-11-5-6-13(16)12(10-11)4-3-9-15/h5-6,10,15-16H,3-4,7-9H2,1-2H3
InChIKeyQPWZXJUYNOOGTR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.42
Rot. Bonds6

About 4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol

4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol (PubChem CID 117320433) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol
PubChem CID117320433
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol
SMILESCN(C)CCc1ccc(O)c(CCCO)c1
InChIInChI=1S/C13H21NO2/c1-14(2)8-7-11-5-6-13(16)12(10-11)4-3-9-15/h5-6,10,15-16H,3-4,7-9H2,1-2H3
InChIKeyQPWZXJUYNOOGTR-UHFFFAOYSA-N
XLogP1.42
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(dimethylamino)ethyl]-2-(2-hydroxyethyl)phenol
CID 117299095
4-[2-(dimethylamino)ethyl]benzene-1,2-diol;hydrobromide
CID 71442477
4-[2-(dimethylamino)ethyl]-2-[(methoxyamino)methyl]phenol
CID 117322399
2-(3-hydroxypropyl)benzene-1,4-diol
CID 19362191
4-[2-(dimethylamino)ethyl]-2-(1-hydroxycyclopropyl)phenol
CID 117316123
2-butyl-4-(2-trimethylsilylethyl)phenol
CID 150413765
4-[(dimethylamino)methyl]-2-octylphenol
CID 70503511
4-nonyl-2-pentylphenol
CID 86162849
6-[2-(dimethylamino)ethyl]naphthalene-2,3-diol;hydrochloride
CID 20541926
4-[2-[(3-hydroxypropylamino)-methylamino]ethyl]benzene-1,2-diol
CID 173195863
2-butyl-4-[(3-butyl-4-hydroxyphenyl)methyl]phenol
CID 121386327
4-[2-[[bis(2-hydroxyethyl)amino]-methylamino]ethyl]benzene-1,2-diol
CID 173195865

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol?
The IUPAC name of 4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol (CID 117320433) is 4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol?
The canonical SMILES for 4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol is CN(C)CCc1ccc(O)c(CCCO)c1.
What is the InChIKey of 4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol?
The InChIKey is QPWZXJUYNOOGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-14(2)8-7-11-5-6-13(16)12(10-11)4-3-9-15/h5-6,10,15-16H,3-4,7-9H2,1-2H3.
What are the key properties of 4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol?
4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol has a molecular weight of 223.32 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl]-2-(3-hydroxypropyl)phenol is sourced from PubChem (CID 117320433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).