2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol

C11H17NO4 — CID 112512175

IUPAC2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol
SMILESCOc1cccc(OCC(N)CO)c1OC
InChIInChI=1S/C11H17NO4/c1-14-9-4-3-5-10(11(9)15-2)16-7-8(12)6-13/h3-5,8,13H,6-7,12H2,1-2H3
InChIKeyDBXVKTGNLWEIIG-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.40
Rot. Bonds6

About 2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol

2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol (PubChem CID 112512175) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol
PubChem CID112512175
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol
SMILESCOc1cccc(OCC(N)CO)c1OC
InChIInChI=1S/C11H17NO4/c1-14-9-4-3-5-10(11(9)15-2)16-7-8(12)6-13/h3-5,8,13H,6-7,12H2,1-2H3
InChIKeyDBXVKTGNLWEIIG-UHFFFAOYSA-N
XLogP0.40
TPSA73.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(2,3-dimethoxyphenyl)propan-1-ol
CID 82394614
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
2-amino-3-(2-ethoxy-3-methoxyphenyl)propan-1-ol
CID 170893212
2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol
CID 77130049
1,2,3-trimethoxybenzene;hydrofluoride
CID 174818666
2-amino-3-(2-prop-2-enoxyphenoxy)propan-1-ol
CID 23337701
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol
CID 12814074
[4-[(2,3-dimethoxyphenoxy)methyl]phenyl]methanamine
CID 22688697
3-(2,3-dimethoxyphenoxy)butan-1-amine
CID 112508081
2-amino-3-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]propan-1-ol
CID 64804801

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol?
The IUPAC name of 2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol (CID 112512175) is 2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol?
The canonical SMILES for 2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol is COc1cccc(OCC(N)CO)c1OC.
What is the InChIKey of 2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol?
The InChIKey is DBXVKTGNLWEIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-14-9-4-3-5-10(11(9)15-2)16-7-8(12)6-13/h3-5,8,13H,6-7,12H2,1-2H3.
What are the key properties of 2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol?
2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol has a molecular weight of 227.26 g/mol, XLogP of 0.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,3-dimethoxyphenoxy)propan-1-ol is sourced from PubChem (CID 112512175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).