2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol

C13H22N2O2 — CID 115120540

IUPAC2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol
SMILESCOc1cc(C)c(C)cc1CNCC(N)CO
InChIInChI=1S/C13H22N2O2/c1-9-4-11(6-15-7-12(14)8-16)13(17-3)5-10(9)2/h4-5,12,15-16H,6-8,14H2,1-3H3
InChIKeyGYWABRLSUORKCU-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.72
Rot. Bonds6

About 2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol

2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol (PubChem CID 115120540) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol
PubChem CID115120540
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol
SMILESCOc1cc(C)c(C)cc1CNCC(N)CO
InChIInChI=1S/C13H22N2O2/c1-9-4-11(6-15-7-12(14)8-16)13(17-3)5-10(9)2/h4-5,12,15-16H,6-8,14H2,1-3H3
InChIKeyGYWABRLSUORKCU-UHFFFAOYSA-N
XLogP0.72
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]propan-1-ol
CID 115120814
3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propane-1,2-diol
CID 115122094
2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propanoic acid
CID 115240667
2-amino-3-[(2-methoxyphenyl)methylamino]propan-1-ol
CID 115120623
2-amino-3-[(2-methoxy-3,5-dimethylphenyl)methylamino]propan-1-ol
CID 115120568
2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 176947219
(2S)-1-[(2,4,5-trimethoxyphenyl)methylamino]propan-2-ol
CID 51434639
N-ethyl-N'-[(2-methoxy-4,5-dimethylphenyl)methyl]ethane-1,2-diamine
CID 115205818
2-amino-3-(4-methoxy-3,5-dimethylanilino)propan-1-ol
CID 115120343
2-amino-3-[(4-tert-butyl-2,6-dimethylphenyl)methylamino]propan-1-ol
CID 115120572
2-amino-N-[(2,5-dimethoxy-4-methylphenyl)methyl]-3-hydroxypropanamide
CID 115179871
N'-[(2-methoxy-4,5-dimethylphenyl)methyl]-N-methyl-1-phenylethane-1,2-diamine
CID 67643101

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol?
The IUPAC name of 2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol (CID 115120540) is 2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol?
The canonical SMILES for 2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol is COc1cc(C)c(C)cc1CNCC(N)CO.
What is the InChIKey of 2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol?
The InChIKey is GYWABRLSUORKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-4-11(6-15-7-12(14)8-16)13(17-3)5-10(9)2/h4-5,12,15-16H,6-8,14H2,1-3H3.
What are the key properties of 2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol?
2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 0.72, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-methoxy-4,5-dimethylphenyl)methylamino]propan-1-ol is sourced from PubChem (CID 115120540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).