(1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol

C12H19NO3 — CID 124500392

IUPAC(1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol
SMILESCOC[C@H](OC)c1ccc([C@@H](O)CN)cc1
InChIInChI=1S/C12H19NO3/c1-15-8-12(16-2)10-5-3-9(4-6-10)11(14)7-13/h3-6,11-12,14H,7-8,13H2,1-2H3/t11-,12-/m0/s1
InChIKeyURBDUTOIOCDRNK-RYUDHWBXSA-N
MW225.29 g/mol
LogP1.01
Rot. Bonds6

About (1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol

(1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol (PubChem CID 124500392) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol
PubChem CID124500392
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol
SMILESCOC[C@H](OC)c1ccc([C@@H](O)CN)cc1
InChIInChI=1S/C12H19NO3/c1-15-8-12(16-2)10-5-3-9(4-6-10)11(14)7-13/h3-6,11-12,14H,7-8,13H2,1-2H3/t11-,12-/m0/s1
InChIKeyURBDUTOIOCDRNK-RYUDHWBXSA-N
XLogP1.01
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[4-[(1S)-1,2-dimethoxyethyl]phenyl]ethanol
CID 124500385
1-[4-(1,2-dimethoxyethyl)phenyl]ethanol
CID 102543604
2-amino-1-[4-(1-methoxyethyl)phenyl]ethanol
CID 117285517
1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-ol
CID 117322250
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
1-[4-(aminomethyl)phenyl]-2-methoxyethanol
CID 43531479
2-amino-1-[4-(1-hydroxyethyl)phenyl]ethanol
CID 117278888
1-[4-(1,2-dimethoxyethyl)phenyl]propan-2-one
CID 117318122
2-amino-1-(4-methylphenyl)ethanol;ethane
CID 145260878
[1-[4-(1,2-dimethoxyethyl)phenyl]cyclobutyl]methanamine
CID 117377033
methyl 4-[(1S)-2-amino-1-hydroxyethyl]benzoate
CID 94590796
2-amino-1-[4-(2-methylpropoxy)phenyl]ethanol
CID 102533878

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol?
The IUPAC name of (1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol (CID 124500392) is (1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol.
What is the SMILES notation for (1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol?
The canonical SMILES for (1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol is COC[C@H](OC)c1ccc([C@@H](O)CN)cc1.
What is the InChIKey of (1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol?
The InChIKey is URBDUTOIOCDRNK-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H19NO3/c1-15-8-12(16-2)10-5-3-9(4-6-10)11(14)7-13/h3-6,11-12,14H,7-8,13H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol?
(1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-amino-1-[4-[(1R)-1,2-dimethoxyethyl]phenyl]ethanol is sourced from PubChem (CID 124500392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).