1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol

C16H28N2O3 — CID 62990076

IUPAC1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCOc1cc(CNCC(O)COC(C)CC(C)C)ccn1
InChIInChI=1S/C16H28N2O3/c1-12(2)7-13(3)21-11-15(19)10-17-9-14-5-6-18-16(8-14)20-4/h5-6,8,12-13,15,17,19H,7,9-11H2,1-4H3
InChIKeyCDACDVMCQTTWAP-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.99
Rot. Bonds10

About 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol

1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol (PubChem CID 62990076) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol
PubChem CID62990076
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol
SMILESCOc1cc(CNCC(O)COC(C)CC(C)C)ccn1
InChIInChI=1S/C16H28N2O3/c1-12(2)7-13(3)21-11-15(19)10-17-9-14-5-6-18-16(8-14)20-4/h5-6,8,12-13,15,17,19H,7,9-11H2,1-4H3
InChIKeyCDACDVMCQTTWAP-UHFFFAOYSA-N
XLogP1.99
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-methylpropoxy)propan-2-ol
CID 62989552
1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 62989903
1-(4-methylpentan-2-yloxy)-3-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349844
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
2-methyl-N-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]propan-1-amine
CID 62291047
1-(4-methylpentan-2-yloxy)-3-[(2-methylpyrazol-3-yl)methylamino]propan-2-ol
CID 63302466
1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol
CID 62989373
1-(4-methylpentan-2-yloxy)-3-(1,2,4-oxadiazol-3-ylmethylamino)propan-2-ol
CID 106399294
cyclohexylmethyl-[(2S)-2-hydroxy-3-[(2-methoxy-4-pyridinyl)methylamino]propyl]phosphinic acid
CID 68891174
(2R)-2-[(2-methoxy-4-pyridinyl)methylcarbamoylamino]-4-methylpentanoic acid
CID 78919876
1-(4-methylpentan-2-yloxy)-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 60970362
2-[(2-methoxy-4-pyridinyl)methylamino]-N-pentan-2-ylacetamide
CID 62989363

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol?
The IUPAC name of 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol (CID 62990076) is 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol is COc1cc(CNCC(O)COC(C)CC(C)C)ccn1.
What is the InChIKey of 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol?
The InChIKey is CDACDVMCQTTWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-12(2)7-13(3)21-11-15(19)10-17-9-14-5-6-18-16(8-14)20-4/h5-6,8,12-13,15,17,19H,7,9-11H2,1-4H3.
What are the key properties of 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol?
1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol has a molecular weight of 296.41 g/mol, XLogP of 1.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol is sourced from PubChem (CID 62990076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).