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

C11H17NO3 — CID 12814074

IUPAC3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol
SMILESCOc1cccc(C(CN)CO)c1OC
InChIInChI=1S/C11H17NO3/c1-14-10-5-3-4-9(11(10)15-2)8(6-12)7-13/h3-5,8,13H,6-7,12H2,1-2H3
InChIKeyMDFXCJCOXMSOCO-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.74
Rot. Bonds5

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

3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol (PubChem CID 12814074) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol
PubChem CID12814074
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol
SMILESCOc1cccc(C(CN)CO)c1OC
InChIInChI=1S/C11H17NO3/c1-14-10-5-3-4-9(11(10)15-2)8(6-12)7-13/h3-5,8,13H,6-7,12H2,1-2H3
InChIKeyMDFXCJCOXMSOCO-UHFFFAOYSA-N
XLogP0.74
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-(2-methoxy-3-methylphenyl)propan-1-ol
CID 83685742
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
(1S)-1-(2,3-dimethoxyphenyl)ethane-1,2-diamine
CID 55278892
2-(2,3-dimethoxyphenyl)propan-1-amine;hydrochloride
CID 3029784
3-amino-1-(2,3-dimethoxyphenyl)-2,2-dimethylpropan-1-ol
CID 79135373
3-amino-2-(2-methoxy-4,5-dimethylphenyl)propan-1-ol
CID 82283929
2-amino-2-(2-ethoxy-3-methoxyphenyl)ethanol
CID 77130049
2-amino-1-[2-[(2,3-dimethoxyphenyl)methyl]phenyl]ethanol
CID 10039695
(1S)-1-(2,3-dimethoxyphenyl)prop-2-en-1-amine
CID 171218765
(1R,2S)-2-amino-1-(2,3-dimethoxyphenyl)propan-1-ol
CID 28743907
(1S)-1-(2,3-dimethoxyphenyl)-2-methylpropan-1-amine
CID 97011790
(1S,2R)-1-amino-1-(2,3-dimethoxyphenyl)propan-2-ol;hydrochloride
CID 171162154

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol?
The IUPAC name of 3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol (CID 12814074) is 3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol.
What is the SMILES notation for 3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol?
The canonical SMILES for 3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol is COc1cccc(C(CN)CO)c1OC.
What is the InChIKey of 3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol?
The InChIKey is MDFXCJCOXMSOCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-14-10-5-3-4-9(11(10)15-2)8(6-12)7-13/h3-5,8,13H,6-7,12H2,1-2H3.
What are the key properties of 3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol?
3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol has a molecular weight of 211.26 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2,3-dimethoxyphenyl)propan-1-ol is sourced from PubChem (CID 12814074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).