6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol

C16H20N2O2 — CID 79794177

IUPAC6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol
SMILESCCC(C)Oc1cccc(NCc2ccc(O)cn2)c1
InChIInChI=1S/C16H20N2O2/c1-3-12(2)20-16-6-4-5-13(9-16)17-10-14-7-8-15(19)11-18-14/h4-9,11-12,17,19H,3,10H2,1-2H3
InChIKeyRTWFALPKKALVDE-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.58
Rot. Bonds6

About 6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol

6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol (PubChem CID 79794177) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol
PubChem CID79794177
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol
SMILESCCC(C)Oc1cccc(NCc2ccc(O)cn2)c1
InChIInChI=1S/C16H20N2O2/c1-3-12(2)20-16-6-4-5-13(9-16)17-10-14-7-8-15(19)11-18-14/h4-9,11-12,17,19H,3,10H2,1-2H3
InChIKeyRTWFALPKKALVDE-UHFFFAOYSA-N
XLogP3.58
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-butan-2-yloxy-N-[(2-methylpyrimidin-4-yl)methyl]aniline
CID 62749146
3-butan-2-yloxy-N-[(2,6-dichlorophenyl)methyl]aniline
CID 63478157
methyl 3-[(5-hydroxy-2-pyridinyl)methylamino]benzoate
CID 79775423
2-[(3-butan-2-yloxyanilino)methyl]-6-chlorophenol
CID 115951671
3-butan-2-yloxy-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]aniline
CID 62325026
2-(3-butan-2-yloxyanilino)ethanol
CID 62328235
2-[4-[(3-butan-2-yloxyanilino)methyl]triazol-1-yl]ethanol
CID 66268122
2-(3-butan-2-yloxyanilino)acetic acid
CID 62328764
4-[(3-butan-2-yloxyanilino)methyl]-2-chlorophenol
CID 62325034
3-butan-2-yloxy-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 115682485
6-(anilinomethyl)pyridin-3-ol
CID 79787965
3-butan-2-yloxy-N-[(4-chlorophenyl)methyl]aniline
CID 54802725

Frequently Asked Questions

What is the IUPAC name of 6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol?
The IUPAC name of 6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol (CID 79794177) is 6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol.
What is the SMILES notation for 6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol?
The canonical SMILES for 6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol is CCC(C)Oc1cccc(NCc2ccc(O)cn2)c1.
What is the InChIKey of 6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol?
The InChIKey is RTWFALPKKALVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-12(2)20-16-6-4-5-13(9-16)17-10-14-7-8-15(19)11-18-14/h4-9,11-12,17,19H,3,10H2,1-2H3.
What are the key properties of 6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol?
6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol has a molecular weight of 272.35 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-butan-2-yloxyanilino)methyl]pyridin-3-ol is sourced from PubChem (CID 79794177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).