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

C14H24N2O3 — CID 62989552

IUPAC1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-methylpropoxy)propan-2-ol
SMILESCOc1cc(CNCC(O)COCC(C)C)ccn1
InChIInChI=1S/C14H24N2O3/c1-11(2)9-19-10-13(17)8-15-7-12-4-5-16-14(6-12)18-3/h4-6,11,13,15,17H,7-10H2,1-3H3
InChIKeyHQGRSJRBYGHOIB-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.21
Rot. Bonds9

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

1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-methylpropoxy)propan-2-ol (PubChem CID 62989552) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-methylpropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-methylpropoxy)propan-2-ol
PubChem CID62989552
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-methylpropoxy)propan-2-ol
SMILESCOc1cc(CNCC(O)COCC(C)C)ccn1
InChIInChI=1S/C14H24N2O3/c1-11(2)9-19-10-13(17)8-15-7-12-4-5-16-14(6-12)18-3/h4-6,11,13,15,17H,7-10H2,1-3H3
InChIKeyHQGRSJRBYGHOIB-UHFFFAOYSA-N
XLogP1.21
TPSA63.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-propan-2-yloxyethoxy)propan-2-ol
CID 62989903
1-[(2-methoxy-4-pyridinyl)methylamino]-3-(4-methylpentan-2-yloxy)propan-2-ol
CID 62990076
2-methyl-N-[[2-(2-methylpropoxy)-4-pyridinyl]methyl]propan-1-amine
CID 62291047
1-(4-chlorophenyl)-2-[(2-methoxy-4-pyridinyl)methylamino]ethanol
CID 62989373
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
1-ethoxy-N-[(2-methoxy-4-pyridinyl)methyl]propan-2-amine
CID 115708937
cyclohexylmethyl-[(2S)-2-hydroxy-3-[(2-methoxy-4-pyridinyl)methylamino]propyl]phosphinic acid
CID 68891174
N-[[2-(2-methoxyphenoxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62323227
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide
CID 77032863
4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol
CID 79355566
2-methyl-N-[[2-(3-methylbut-3-enoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114470489

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-methylpropoxy)propan-2-ol?
The IUPAC name of 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-methylpropoxy)propan-2-ol (CID 62989552) is 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-methylpropoxy)propan-2-ol.
What is the SMILES notation for 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-methylpropoxy)propan-2-ol?
The canonical SMILES for 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-methylpropoxy)propan-2-ol is COc1cc(CNCC(O)COCC(C)C)ccn1.
What is the InChIKey of 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-methylpropoxy)propan-2-ol?
The InChIKey is HQGRSJRBYGHOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-11(2)9-19-10-13(17)8-15-7-12-4-5-16-14(6-12)18-3/h4-6,11,13,15,17H,7-10H2,1-3H3.
What are the key properties of 1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-methylpropoxy)propan-2-ol?
1-[(2-methoxy-4-pyridinyl)methylamino]-3-(2-methylpropoxy)propan-2-ol has a molecular weight of 268.36 g/mol, XLogP of 1.21, 9 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-(2-methylpropoxy)propan-2-ol is sourced from PubChem (CID 62989552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).