2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol

C13H22N2O2 — CID 115120401

IUPAC2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol
SMILESCOc1cc(C)c(N(C)CC(N)CO)cc1C
InChIInChI=1S/C13H22N2O2/c1-9-6-13(17-4)10(2)5-12(9)15(3)7-11(14)8-16/h5-6,11,16H,7-8,14H2,1-4H3
InChIKeyFIJMVXVUPLTQQG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.07
Rot. Bonds5

About 2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol

2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol (PubChem CID 115120401) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol
PubChem CID115120401
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol
SMILESCOc1cc(C)c(N(C)CC(N)CO)cc1C
InChIInChI=1S/C13H22N2O2/c1-9-6-13(17-4)10(2)5-12(9)15(3)7-11(14)8-16/h5-6,11,16H,7-8,14H2,1-4H3
InChIKeyFIJMVXVUPLTQQG-UHFFFAOYSA-N
XLogP1.07
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-amino-3-(4-methoxy-N,2,3,6-tetramethylanilino)propan-1-ol
CID 115120488
2-amino-3-(2-methoxy-N,5-dimethylanilino)propan-1-ol
CID 115120374
2-(4-methoxy-N,2,5-trimethylanilino)ethanol
CID 115216098
3-(4,5-dimethoxy-N,2-dimethylanilino)propane-1,2-diol
CID 115122024
2-amino-3-(2,4-dimethoxy-N,6-dimethylanilino)propan-1-ol
CID 115120475
2-amino-3-(5-chloro-2-methoxy-N-methylanilino)propan-1-ol
CID 115120381
3-(2-methoxy-N,4,5-trimethylanilino)propane-1,2-diol
CID 115121985
2-amino-3-(2-methoxy-N-methyl-5-propan-2-ylanilino)propan-1-ol
CID 115120393
2-amino-3-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 176947219
1-N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-1-N-methylpropane-1,2-diamine
CID 115196385
[1-[(4-methoxy-N,2,5-trimethylanilino)methyl]cyclopropyl]methanol
CID 115243345
3-N-(5-chloro-2-methoxy-4-methylphenyl)-3-N-methylpropane-1,2,3-triamine
CID 115119542

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol?
The IUPAC name of 2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol (CID 115120401) is 2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol.
What is the SMILES notation for 2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol?
The canonical SMILES for 2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol is COc1cc(C)c(N(C)CC(N)CO)cc1C.
What is the InChIKey of 2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol?
The InChIKey is FIJMVXVUPLTQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9-6-13(17-4)10(2)5-12(9)15(3)7-11(14)8-16/h5-6,11,16H,7-8,14H2,1-4H3.
What are the key properties of 2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol?
2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol has a molecular weight of 238.33 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-methoxy-N,2,5-trimethylanilino)propan-1-ol is sourced from PubChem (CID 115120401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).