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

C15H25NO5 — CID 103377252

IUPAC3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol
SMILESCOc1ccc(C(CN)OC(C)C(C)O)c(OC)c1OC
InChIInChI=1S/C15H25NO5/c1-9(17)10(2)21-13(8-16)11-6-7-12(18-3)15(20-5)14(11)19-4/h6-7,9-10,13,17H,8,16H2,1-5H3
InChIKeyYSWDKRCAFIHNKS-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.50
Rot. Bonds8

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

3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol (PubChem CID 103377252) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol.

Molecular Properties

Compound Name3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol
PubChem CID103377252
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Name3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol
SMILESCOc1ccc(C(CN)OC(C)C(C)O)c(OC)c1OC
InChIInChI=1S/C15H25NO5/c1-9(17)10(2)21-13(8-16)11-6-7-12(18-3)15(20-5)14(11)19-4/h6-7,9-10,13,17H,8,16H2,1-5H3
InChIKeyYSWDKRCAFIHNKS-UHFFFAOYSA-N
XLogP1.50
TPSA83.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-amino-1-(2-chloro-3,4-dimethoxyphenyl)ethoxy]butan-2-ol
CID 103377157
2-methoxy-2-(2,3,4-trimethoxyphenyl)ethanamine
CID 66070513
3-[2-amino-1-(3,4,5-trimethoxyphenyl)ethoxy]butan-2-ol
CID 103377036
3-[2-amino-1-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol
CID 103377072
2-(aminomethyl)-3-methyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 65185942
(1R)-3-amino-1-(2,3,4-trimethoxyphenyl)propan-1-ol
CID 97051483
2-(3-fluoro-2,4-dimethoxyphenyl)propan-1-amine
CID 84782781
2-(2-ethoxy-3,4-dimethoxyphenyl)propan-1-amine
CID 117351336
2-amino-5-(2,3,4-trimethoxyphenyl)hexan-3-ol
CID 83934134
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
3-[2-amino-1-(3,5-dimethoxyphenyl)ethoxy]butan-2-ol
CID 103377253
2-propan-2-yloxy-1-(2,3,4-trimethoxyphenyl)ethanol
CID 79566977

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol?
The IUPAC name of 3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol (CID 103377252) is 3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol.
What is the SMILES notation for 3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol?
The canonical SMILES for 3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol is COc1ccc(C(CN)OC(C)C(C)O)c(OC)c1OC.
What is the InChIKey of 3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol?
The InChIKey is YSWDKRCAFIHNKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO5/c1-9(17)10(2)21-13(8-16)11-6-7-12(18-3)15(20-5)14(11)19-4/h6-7,9-10,13,17H,8,16H2,1-5H3.
What are the key properties of 3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol?
3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol has a molecular weight of 299.37 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol is sourced from PubChem (CID 103377252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).