3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol

C14H23NO4 — CID 103377072

IUPAC3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol
SMILESCOc1ccc(C(CN)OC(C)C(C)O)cc1OC
InChIInChI=1S/C14H23NO4/c1-9(16)10(2)19-14(8-15)11-5-6-12(17-3)13(7-11)18-4/h5-7,9-10,14,16H,8,15H2,1-4H3
InChIKeyYGJUAOHTVNDLDO-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.49
Rot. Bonds7

About 3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol

3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol (PubChem CID 103377072) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol.

Molecular Properties

Compound Name3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol
PubChem CID103377072
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol
SMILESCOc1ccc(C(CN)OC(C)C(C)O)cc1OC
InChIInChI=1S/C14H23NO4/c1-9(16)10(2)19-14(8-15)11-5-6-12(17-3)13(7-11)18-4/h5-7,9-10,14,16H,8,15H2,1-4H3
InChIKeyYGJUAOHTVNDLDO-UHFFFAOYSA-N
XLogP1.49
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-amino-1-(3,4,5-trimethoxyphenyl)ethoxy]butan-2-ol
CID 103377036
3-[2-amino-1-(3,5-dimethoxyphenyl)ethoxy]butan-2-ol
CID 103377253
3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol
CID 103377252
(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethanol;hydrochloride
CID 163203583
3-[2-amino-1-(2-chloro-3,4-dimethoxyphenyl)ethoxy]butan-2-ol
CID 103377157
(2R)-3-amino-2-(3,4-dimethoxyphenyl)propan-1-ol
CID 95441222
[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl] acetate
CID 174288850
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
(4S)-4-amino-4-(3,4-dimethoxyphenyl)butan-2-ol
CID 71044038
[(1S)-2-amino-1-(3,4-dimethoxyphenyl)ethyl] 3-phenylpropanoate
CID 138534631
1-amino-4-(3,4-dimethoxyphenyl)hexan-2-ol
CID 83928885
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol?
The IUPAC name of 3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol (CID 103377072) is 3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol.
What is the SMILES notation for 3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol?
The canonical SMILES for 3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol is COc1ccc(C(CN)OC(C)C(C)O)cc1OC.
What is the InChIKey of 3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol?
The InChIKey is YGJUAOHTVNDLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-9(16)10(2)19-14(8-15)11-5-6-12(17-3)13(7-11)18-4/h5-7,9-10,14,16H,8,15H2,1-4H3.
What are the key properties of 3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol?
3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol has a molecular weight of 269.34 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol is sourced from PubChem (CID 103377072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).