2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol

C15H26N2O2 — CID 158916104

IUPAC2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(C(C)(C)C)nc1OC
InChIInChI=1S/C15H26N2O2/c1-6-12(10-18)16-9-11-7-8-13(15(2,3)4)17-14(11)19-5/h7-8,12,16,18H,6,9-10H2,1-5H3
InChIKeyFJDLEUPVCNWJQF-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.25
Rot. Bonds6

About 2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol

2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol (PubChem CID 158916104) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol.

Molecular Properties

Compound Name2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol
PubChem CID158916104
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol
SMILESCCC(CO)NCc1ccc(C(C)(C)C)nc1OC
InChIInChI=1S/C15H26N2O2/c1-6-12(10-18)16-9-11-7-8-13(15(2,3)4)17-14(11)19-5/h7-8,12,16,18H,6,9-10H2,1-5H3
InChIKeyFJDLEUPVCNWJQF-UHFFFAOYSA-N
XLogP2.25
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol with MolForge

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Related Compounds

2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]propane-1,3-diol
CID 139572608
(2R)-2-[(2,4,5-trimethoxyphenyl)methylamino]butan-1-ol
CID 40726834
(2S)-2-[(2,3-dimethoxyphenyl)methylamino]butan-1-ol
CID 7061563
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]butan-1-ol
CID 83086959
(2S)-2-[(2-methoxy-3-methylphenyl)methylamino]butan-1-ol
CID 97179065
2-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]phenol
CID 15278079
(2R)-2-(naphthalen-1-ylmethylamino)butan-1-ol
CID 918808
anisole;3-(bromomethyl)-6-tert-butyl-2-methoxypyridine
CID 174966911
(2R)-2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]butan-1-ol
CID 51675513
3-hydroxy-2-[(2-methoxy-6-methyl-3-pyridinyl)methylamino]propanoic acid
CID 145435857
(2S)-2-[(6-methoxynaphthalen-2-yl)methylamino]butan-1-ol
CID 28723100
(2R)-2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]butan-1-ol
CID 103933123

Frequently Asked Questions

What is the IUPAC name of 2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol?
The IUPAC name of 2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol (CID 158916104) is 2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol.
What is the SMILES notation for 2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol?
The canonical SMILES for 2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol is CCC(CO)NCc1ccc(C(C)(C)C)nc1OC.
What is the InChIKey of 2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol?
The InChIKey is FJDLEUPVCNWJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-6-12(10-18)16-9-11-7-8-13(15(2,3)4)17-14(11)19-5/h7-8,12,16,18H,6,9-10H2,1-5H3.
What are the key properties of 2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol?
2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol has a molecular weight of 266.38 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-tert-butyl-2-methoxy-3-pyridinyl)methylamino]butan-1-ol is sourced from PubChem (CID 158916104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).