3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol

C12H20N2O2 — CID 114936936

IUPAC3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol
SMILESCOc1ccc(CNC(C)(C)CCO)cn1
InChIInChI=1S/C12H20N2O2/c1-12(2,6-7-15)14-9-10-4-5-11(16-3)13-8-10/h4-5,8,14-15H,6-7,9H2,1-3H3
InChIKeyQQMZQBNRLIFRQU-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.34
Rot. Bonds6

About 3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol

3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol (PubChem CID 114936936) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol
PubChem CID114936936
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol
SMILESCOc1ccc(CNC(C)(C)CCO)cn1
InChIInChI=1S/C12H20N2O2/c1-12(2,6-7-15)14-9-10-4-5-11(16-3)13-8-10/h4-5,8,14-15H,6-7,9H2,1-3H3
InChIKeyQQMZQBNRLIFRQU-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

Analyze 3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-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-[(6-methoxy-3-pyridinyl)methylamino]-2-methylpropan-1-ol
CID 114936372
N-[(6-methoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62292084
4-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936268
3-[(3-bromo-4-methoxyphenyl)methylamino]-3-methylbutan-1-ol
CID 111469026
1-tert-butyl-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 115576607
3-methyl-3-[(4-propylphenyl)methylamino]butan-1-ol
CID 115134045
4-methoxy-N-[(6-methoxy-3-pyridinyl)methyl]aniline
CID 114936317
N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-5-amine
CID 107588350
2-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidine-2,5-diamine
CID 62989885
2-tert-butyl-N-[(6-methoxy-3-pyridinyl)methyl]pyrimidin-4-amine
CID 133331625
3-[(6-methoxy-3-pyridinyl)methylamino]-2,2-dimethylpropanamide
CID 104998708
2-tert-butylsulfonyl-N-[(6-methoxy-3-pyridinyl)methyl]ethanamine
CID 105006850

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol?
The IUPAC name of 3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol (CID 114936936) is 3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol.
What is the SMILES notation for 3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol?
The canonical SMILES for 3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol is COc1ccc(CNC(C)(C)CCO)cn1.
What is the InChIKey of 3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol?
The InChIKey is QQMZQBNRLIFRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(2,6-7-15)14-9-10-4-5-11(16-3)13-8-10/h4-5,8,14-15H,6-7,9H2,1-3H3.
What are the key properties of 3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol?
3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-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 3-[(6-methoxy-3-pyridinyl)methylamino]-3-methylbutan-1-ol is sourced from PubChem (CID 114936936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).