2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol

C12H19NO3 — CID 176947219

IUPAC2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
SMILESCOc1cc(CC(N)CO)c(OC)cc1C
InChIInChI=1S/C12H19NO3/c1-8-4-12(16-3)9(5-10(13)7-14)6-11(8)15-2/h4,6,10,14H,5,7,13H2,1-3H3
InChIKeyGYSVQPMAYKEBLU-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.87
Rot. Bonds5

About 2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol

2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol (PubChem CID 176947219) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
PubChem CID176947219
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
SMILESCOc1cc(CC(N)CO)c(OC)cc1C
InChIInChI=1S/C12H19NO3/c1-8-4-12(16-3)9(5-10(13)7-14)6-11(8)15-2/h4,6,10,14H,5,7,13H2,1-3H3
InChIKeyGYSVQPMAYKEBLU-UHFFFAOYSA-N
XLogP0.87
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethoxy-4-methylphenyl)butan-2-amine;ethane
CID 176553687
2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol
CID 115120540
2-amino-3-(2,3-difluoro-4-methoxyphenyl)propan-1-ol
CID 170893663
(2S)-2-amino-3-(3,4-dimethoxy-5-methylphenyl)propan-1-ol
CID 141408194
2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115179871
2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol
CID 115120401
2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
CID 170892243
2-amino-3-(4,5-dimethoxy-2-phenylmethoxyphenyl)propan-1-ol
CID 170892300
2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol
CID 115120814
2-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol;hydrochloride
CID 170892242
1-(2,5-dimethoxy-4-methylphenyl)-N-propan-2-ylpropan-2-amine
CID 112513449
2-(2-amino-3-hydroxypropyl)-4-bromo-6-methoxyphenol;hydrochloride
CID 170891993

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol?
The IUPAC name of 2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol (CID 176947219) is 2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol is COc1cc(CC(N)CO)c(OC)cc1C.
What is the InChIKey of 2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol?
The InChIKey is GYSVQPMAYKEBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-8-4-12(16-3)9(5-10(13)7-14)6-11(8)15-2/h4,6,10,14H,5,7,13H2,1-3H3.
What are the key properties of 2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol?
2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol has a molecular weight of 225.29 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol is sourced from PubChem (CID 176947219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).