(1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol

C13H21NO2 — CID 78940310

IUPAC(1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol
SMILESCOCC(C)N(C)c1ccccc1[C@@H](C)O
InChIInChI=1S/C13H21NO2/c1-10(9-16-4)14(3)13-8-6-5-7-12(13)11(2)15/h5-8,10-11,15H,9H2,1-4H3/t10?,11-/m1/s1
InChIKeyYPKRSRBPHSCGFX-RRKGBCIJSA-N
MW223.32 g/mol
LogP2.21
Rot. Bonds5

About (1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol

(1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol (PubChem CID 78940310) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol
PubChem CID78940310
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol
SMILESCOCC(C)N(C)c1ccccc1[C@@H](C)O
InChIInChI=1S/C13H21NO2/c1-10(9-16-4)14(3)13-8-6-5-7-12(13)11(2)15/h5-8,10-11,15H,9H2,1-4H3/t10?,11-/m1/s1
InChIKeyYPKRSRBPHSCGFX-RRKGBCIJSA-N
XLogP2.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[2-[methyl(pentan-2-yl)amino]phenyl]ethanol
CID 78939754
1-[2-[methyl(1-methylsulfanylpropan-2-yl)amino]phenyl]ethanol
CID 112661774
(1R)-1-[2-[methyl(pentan-3-yl)amino]phenyl]ethanol
CID 78939770
2-N-(1-methoxypropan-2-yl)-2-N-methylbenzene-1,2-diamine
CID 61449915
(1S)-1-[2-[methyl(3-methylbutan-2-yl)amino]phenyl]ethanol
CID 63371150
2-(1-hydroxyethyl)-5-[1-methoxypropan-2-yl(methyl)amino]phenol
CID 79604011
(1S)-1-[2-[ethyl(1-methoxypropan-2-yl)amino]phenyl]propan-1-ol
CID 103959999
(1S)-1-[2-[1-(2-chlorophenyl)ethyl-methylamino]phenyl]ethanol
CID 63371731
(1R)-1-[2-[ethyl(propan-2-yl)amino]phenyl]ethanol
CID 78939531
3-[1-methoxypropan-2-yl(methyl)amino]-1-(2-methylphenyl)propan-1-ol
CID 62622938
1-[2-[butan-2-yl(ethyl)amino]phenyl]ethanol
CID 43510195
(1S)-1-[2-[butan-2-yl(2-methoxyethyl)amino]phenyl]propan-1-ol
CID 103959967

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol?
The IUPAC name of (1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol (CID 78940310) is (1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol.
What is the SMILES notation for (1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol?
The canonical SMILES for (1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol is COCC(C)N(C)c1ccccc1[C@@H](C)O.
What is the InChIKey of (1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol?
The InChIKey is YPKRSRBPHSCGFX-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(9-16-4)14(3)13-8-6-5-7-12(13)11(2)15/h5-8,10-11,15H,9H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of (1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol?
(1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol has a molecular weight of 223.32 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-[1-methoxypropan-2-yl(methyl)amino]phenyl]ethanol is sourced from PubChem (CID 78940310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).