2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol

C12H20N2O2 — CID 115120374

IUPAC2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
SMILESCOc1ccc(C)cc1N(C)CC(N)CO
InChIInChI=1S/C12H20N2O2/c1-9-4-5-12(16-3)11(6-9)14(2)7-10(13)8-15/h4-6,10,15H,7-8,13H2,1-3H3
InChIKeyZLINUHHSMBATSR-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.76
Rot. Bonds5

About 2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol

2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol (PubChem CID 115120374) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
PubChem CID115120374
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
SMILESCOc1ccc(C)cc1N(C)CC(N)CO
InChIInChI=1S/C12H20N2O2/c1-9-4-5-12(16-3)11(6-9)14(2)7-10(13)8-15/h4-6,10,15H,7-8,13H2,1-3H3
InChIKeyZLINUHHSMBATSR-UHFFFAOYSA-N
XLogP0.76
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-(2-methoxy-5-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119499
2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol
CID 115120381
2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol
CID 115120393
2-[(2-methoxy-N,5-dimethylanilino)methyl]butan-1-ol
CID 115250618
2-amino-3-(2-methoxy-N,5-dimethylanilino)propanoic acid
CID 115240536
2-[(2-methoxy-N,5-dimethylanilino)methyl]-3-methylbutan-1-ol
CID 115251929
2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol
CID 115120401
N-ethyl-2-methoxy-N,5-dimethylaniline
CID 58577971
2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol
CID 115120488
2-(2-methoxy-N,5-dimethylanilino)-3-methylbutan-1-ol
CID 115137383
1-amino-3-(2-methoxy-N,5-dimethylanilino)propan-2-one
CID 83822875
2-(2-methoxy-N,5-dimethylanilino)-2-methylpropan-1-ol
CID 115133221

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol?
The IUPAC name of 2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol (CID 115120374) is 2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol.
What is the SMILES notation for 2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol?
The canonical SMILES for 2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol is COc1ccc(C)cc1N(C)CC(N)CO.
What is the InChIKey of 2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol?
The InChIKey is ZLINUHHSMBATSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-4-5-12(16-3)11(6-9)14(2)7-10(13)8-15/h4-6,10,15H,7-8,13H2,1-3H3.
What are the key properties of 2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol?
2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol has a molecular weight of 224.30 g/mol, XLogP of 0.76, 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-methoxy-N,5-dimethylanilino)propan-1-ol is sourced from PubChem (CID 115120374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).