3-[2-amino-1-(3,5-dimethoxyphenyl)ethoxy]butan-2-ol

C14H23NO4 — CID 103377253

IUPAC3-[2-amino-1-(3,5-dimethoxyphenyl)ethoxy]butan-2-ol
SMILESCOc1cc(OC)cc(C(CN)OC(C)C(C)O)c1
InChIInChI=1S/C14H23NO4/c1-9(16)10(2)19-14(8-15)11-5-12(17-3)7-13(6-11)18-4/h5-7,9-10,14,16H,8,15H2,1-4H3
InChIKeyOFONMSYUCJLZAH-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.49
Rot. Bonds7

About 3-[2-amino-1-(3,5-dimethoxyphenyl)ethoxy]butan-2-ol

3-[2-amino-1-(3,5-dimethoxyphenyl)ethoxy]butan-2-ol (PubChem CID 103377253) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[2-amino-1-(3,5-dimethoxyphenyl)ethoxy]butan-2-ol.

Molecular Properties

Compound Name3-[2-amino-1-(3,5-dimethoxyphenyl)ethoxy]butan-2-ol
PubChem CID103377253
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-[2-amino-1-(3,5-dimethoxyphenyl)ethoxy]butan-2-ol
SMILESCOc1cc(OC)cc(C(CN)OC(C)C(C)O)c1
InChIInChI=1S/C14H23NO4/c1-9(16)10(2)19-14(8-15)11-5-12(17-3)7-13(6-11)18-4/h5-7,9-10,14,16H,8,15H2,1-4H3
InChIKeyOFONMSYUCJLZAH-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-(3,4-dimethoxyphenyl)ethoxy]butan-2-ol
CID 103377072
3-[2-amino-1-(3-chlorophenyl)ethoxy]butan-2-ol
CID 103377250
3-[2-amino-1-(2,3,4-trimethoxyphenyl)ethoxy]butan-2-ol
CID 103377252
[(2S)-2-(3,5-dimethoxyphenyl)propyl] carbamate
CID 146173874
1-(3,5-dimethoxyphenyl)-2-methoxyethanol
CID 79567115
3-[2-amino-1-(2-chloro-3,4-dimethoxyphenyl)ethoxy]butan-2-ol
CID 103377157
1-(3,5-dimethoxyphenyl)-N-propan-2-yl-N-propylethane-1,2-diamine
CID 43269422
methyl 3-(3,5-dimethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 55071502
1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590
methyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate
CID 117349068
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-1-(3,5-dimethoxyphenyl)ethoxy]butan-2-ol?
The IUPAC name of 3-[2-amino-1-(3,5-dimethoxyphenyl)ethoxy]butan-2-ol (CID 103377253) is 3-[2-amino-1-(3,5-dimethoxyphenyl)ethoxy]butan-2-ol.
What is the SMILES notation for 3-[2-amino-1-(3,5-dimethoxyphenyl)ethoxy]butan-2-ol?
The canonical SMILES for 3-[2-amino-1-(3,5-dimethoxyphenyl)ethoxy]butan-2-ol is COc1cc(OC)cc(C(CN)OC(C)C(C)O)c1.
What is the InChIKey of 3-[2-amino-1-(3,5-dimethoxyphenyl)ethoxy]butan-2-ol?
The InChIKey is OFONMSYUCJLZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-9(16)10(2)19-14(8-15)11-5-12(17-3)7-13(6-11)18-4/h5-7,9-10,14,16H,8,15H2,1-4H3.
What are the key properties of 3-[2-amino-1-(3,5-dimethoxyphenyl)ethoxy]butan-2-ol?
3-[2-amino-1-(3,5-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-(3,5-dimethoxyphenyl)ethoxy]butan-2-ol is sourced from PubChem (CID 103377253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).