2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol

C13H21NO3 — CID 79604011

IUPAC2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol
SMILESCOCC(C)N(C)c1ccc(C(C)O)c(O)c1
InChIInChI=1S/C13H21NO3/c1-9(8-17-4)14(3)11-5-6-12(10(2)15)13(16)7-11/h5-7,9-10,15-16H,8H2,1-4H3
InChIKeyHHSUDPMRXAOTIJ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.92
Rot. Bonds5

About 2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol

2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol (PubChem CID 79604011) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol.

Molecular Properties

Compound Name2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol
PubChem CID79604011
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol
SMILESCOCC(C)N(C)c1ccc(C(C)O)c(O)c1
InChIInChI=1S/C13H21NO3/c1-9(8-17-4)14(3)11-5-6-12(10(2)15)13(16)7-11/h5-7,9-10,15-16H,8H2,1-4H3
InChIKeyHHSUDPMRXAOTIJ-UHFFFAOYSA-N
XLogP1.92
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-(1-hydroxyethyl)-5-(N-methylanilino)phenol
CID 79603574
(1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol
CID 78940310
[4-[1-methoxypropan-2-yl(methyl)amino]phenyl]methanol
CID 61451739
5-[ethyl(2-methylpropyl)amino]-2-(1-hydroxyethyl)phenol
CID 79604002
5-[ethyl(propyl)amino]-2-(1-hydroxyethyl)phenol
CID 79603748
5-[2-(dimethylamino)ethyl-propylamino]-2-(1-hydroxyethyl)phenol
CID 79603080
2-(1-hydroxyethyl)-5-[pentyl(propan-2-yl)amino]phenol
CID 79604182
2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol
CID 79603670
4-[1-methoxypropan-2-yl(methyl)amino]pyridine-2-carbothioamide
CID 62927129
3-[3-hydroxy-4-(1-hydroxyethyl)-N-methylanilino]-2-methylpropanenitrile
CID 79603502
5-ethoxy-2-(1-hydroxyethyl)phenol
CID 152793520
2-fluoro-4-[1-methoxypropan-2-yl(methyl)amino]benzonitrile
CID 115367259

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol?
The IUPAC name of 2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol (CID 79604011) is 2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol.
What is the SMILES notation for 2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol?
The canonical SMILES for 2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol is COCC(C)N(C)c1ccc(C(C)O)c(O)c1.
What is the InChIKey of 2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol?
The InChIKey is HHSUDPMRXAOTIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-9(8-17-4)14(3)11-5-6-12(10(2)15)13(16)7-11/h5-7,9-10,15-16H,8H2,1-4H3.
What are the key properties of 2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol?
2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol has a molecular weight of 239.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol is sourced from PubChem (CID 79604011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).