4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol

C12H20N2O2 — CID 79355566

IUPAC4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol
SMILESCOc1cc(CNCCC(C)(C)O)ccn1
InChIInChI=1S/C12H20N2O2/c1-12(2,15)5-7-13-9-10-4-6-14-11(8-10)16-3/h4,6,8,13,15H,5,7,9H2,1-3H3
InChIKeyRVHMZUQPXNYGMI-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.34
Rot. Bonds6

About 4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol

4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol (PubChem CID 79355566) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol
PubChem CID79355566
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol
SMILESCOc1cc(CNCCC(C)(C)O)ccn1
InChIInChI=1S/C12H20N2O2/c1-12(2,15)5-7-13-9-10-4-6-14-11(8-10)16-3/h4,6,8,13,15H,5,7,9H2,1-3H3
InChIKeyRVHMZUQPXNYGMI-UHFFFAOYSA-N
XLogP1.34
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]ethanamine
CID 65445404
3-[(2-methoxy-4-pyridinyl)methylamino]-N,N-dimethylpropanamide
CID 62989370
2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]-2-methylbutan-1-ol
CID 81418951
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylpropan-1-amine
CID 63191308
ethyl 3-[(2-methoxy-4-pyridinyl)methylamino]propanoate
CID 62990254
2-ethyl-2-[[(2-methoxy-4-pyridinyl)methylamino]methyl]butan-1-ol
CID 81418952
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
N'-hydroxy-2-[(2-methoxy-4-pyridinyl)methylamino]ethanimidamide
CID 77032863
N-[(2-methoxy-4-pyridinyl)methyl]-3,3-dimethylbutan-2-amine
CID 115708940
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60957794
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 55140934
2-methyl-4-[(4-methylphenyl)methylamino]butan-2-ol
CID 79360596

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol?
The IUPAC name of 4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol (CID 79355566) is 4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol is COc1cc(CNCCC(C)(C)O)ccn1.
What is the InChIKey of 4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol?
The InChIKey is RVHMZUQPXNYGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,15)5-7-13-9-10-4-6-14-11(8-10)16-3/h4,6,8,13,15H,5,7,9H2,1-3H3.
What are the key properties of 4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol?
4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol has a molecular weight of 224.30 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxy-4-pyridinyl)methylamino]-2-methylbutan-2-ol is sourced from PubChem (CID 79355566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).