1-(2-amino-4,5-dimethoxyphenyl)propan-1-ol

C11H17NO3 — CID 46906492

IUPAC1-(2-amino-4,5-dimethoxyphenyl)propan-1-ol
SMILESCCC(O)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C11H17NO3/c1-4-9(13)7-5-10(14-2)11(15-3)6-8(7)12/h5-6,9,13H,4,12H2,1-3H3
InChIKeyHDCYLJLONIEINZ-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.73
Rot. Bonds4

About 1-(2-amino-4,5-dimethoxyphenyl)propan-1-ol

1-(2-amino-4,5-dimethoxyphenyl)propan-1-ol (PubChem CID 46906492) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(2-amino-4,5-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name1-(2-amino-4,5-dimethoxyphenyl)propan-1-ol
PubChem CID46906492
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name1-(2-amino-4,5-dimethoxyphenyl)propan-1-ol
SMILESCCC(O)c1cc(OC)c(OC)cc1N
InChIInChI=1S/C11H17NO3/c1-4-9(13)7-5-10(14-2)11(15-3)6-8(7)12/h5-6,9,13H,4,12H2,1-3H3
InChIKeyHDCYLJLONIEINZ-UHFFFAOYSA-N
XLogP1.73
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4,5-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 1-(2-amino-4,5-dimethoxyphenyl)propan-1-ol (CID 46906492) is 1-(2-amino-4,5-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 1-(2-amino-4,5-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 1-(2-amino-4,5-dimethoxyphenyl)propan-1-ol is CCC(O)c1cc(OC)c(OC)cc1N.
What is the InChIKey of 1-(2-amino-4,5-dimethoxyphenyl)propan-1-ol?
The InChIKey is HDCYLJLONIEINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-4-9(13)7-5-10(14-2)11(15-3)6-8(7)12/h5-6,9,13H,4,12H2,1-3H3.
What are the key properties of 1-(2-amino-4,5-dimethoxyphenyl)propan-1-ol?
1-(2-amino-4,5-dimethoxyphenyl)propan-1-ol has a molecular weight of 211.26 g/mol, XLogP of 1.73, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4,5-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 46906492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).