(1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol

C12H19NO3 — CID 54307372

IUPAC(1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol
SMILESCCOc1ccc(OCC)c([C@@H](O)CN)c1
InChIInChI=1S/C12H19NO3/c1-3-15-9-5-6-12(16-4-2)10(7-9)11(14)8-13/h5-7,11,14H,3-4,8,13H2,1-2H3/t11-/m0/s1
InChIKeySILWLGCRESUCBZ-NSHDSACASA-N
MW225.29 g/mol
LogP1.48
Rot. Bonds6

About (1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol

(1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol (PubChem CID 54307372) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol.

Molecular Properties

Compound Name(1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol
PubChem CID54307372
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name(1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol
SMILESCCOc1ccc(OCC)c([C@@H](O)CN)c1
InChIInChI=1S/C12H19NO3/c1-3-15-9-5-6-12(16-4-2)10(7-9)11(14)8-13/h5-7,11,14H,3-4,8,13H2,1-2H3/t11-/m0/s1
InChIKeySILWLGCRESUCBZ-NSHDSACASA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 66517495
1-(2,5-diethoxyphenyl)ethane-1,2-diamine
CID 77131156
1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
1-(5-ethoxy-2-methoxyphenyl)propan-1-ol
CID 82265613
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
2-(aminomethyl)-4-(2,5-diethoxyphenyl)hexan-1-ol
CID 83942792
4-(2,5-diethoxyphenyl)pentan-1-amine
CID 83942835
2-(aminomethyl)-5-(2,5-diethoxyphenyl)-4-methylhexanoic acid
CID 69268164
1-chloro-1-(2,5-diethoxyphenyl)propan-2-one
CID 166641878
2-amino-1-(6-ethoxy-1,3-benzothiazol-2-yl)ethanol
CID 79518172
4-(2,5-diethoxyphenyl)pentanenitrile
CID 83942836
6-(2,5-diethoxyphenyl)heptan-3-amine
CID 83942784

Frequently Asked Questions

What is the IUPAC name of (1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol?
The IUPAC name of (1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol (CID 54307372) is (1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol.
What is the SMILES notation for (1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol?
The canonical SMILES for (1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol is CCOc1ccc(OCC)c([C@@H](O)CN)c1.
What is the InChIKey of (1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol?
The InChIKey is SILWLGCRESUCBZ-NSHDSACASA-N. The full InChI is InChI=1S/C12H19NO3/c1-3-15-9-5-6-12(16-4-2)10(7-9)11(14)8-13/h5-7,11,14H,3-4,8,13H2,1-2H3/t11-/m0/s1.
What are the key properties of (1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol?
(1R)-2-amino-1-(2,5-diethoxyphenyl)ethanol has a molecular weight of 225.29 g/mol, XLogP of 1.48, 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-(2,5-diethoxyphenyl)ethanol is sourced from PubChem (CID 54307372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).