[4-(4-phenoxybutylamino)-3-pyridinyl]methanol

C16H20N2O2 — CID 155807392

IUPAC[4-(4-phenoxybutylamino)-3-pyridinyl]methanol
SMILESOCc1cnccc1NCCCCOc1ccccc1
InChIInChI=1S/C16H20N2O2/c19-13-14-12-17-10-8-16(14)18-9-4-5-11-20-15-6-2-1-3-7-15/h1-3,6-8,10,12,19H,4-5,9,11,13H2,(H,17,18)
InChIKeyRJLUBHDRNYUPGU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.85
Rot. Bonds8

About [4-(4-phenoxybutylamino)-3-pyridinyl]methanol

[4-(4-phenoxybutylamino)-3-pyridinyl]methanol (PubChem CID 155807392) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [4-(4-phenoxybutylamino)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-(4-phenoxybutylamino)-3-pyridinyl]methanol
PubChem CID155807392
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[4-(4-phenoxybutylamino)-3-pyridinyl]methanol
SMILESOCc1cnccc1NCCCCOc1ccccc1
InChIInChI=1S/C16H20N2O2/c19-13-14-12-17-10-8-16(14)18-9-4-5-11-20-15-6-2-1-3-7-15/h1-3,6-8,10,12,19H,4-5,9,11,13H2,(H,17,18)
InChIKeyRJLUBHDRNYUPGU-UHFFFAOYSA-N
XLogP2.85
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-phenoxy-3-pyridinyl)methanol
CID 67434840
4-[4-(2-phenoxyethoxy)anilino]butan-1-ol
CID 54803419
3-[3-(3-chlorophenoxy)propylamino]pyridine-4-carboxylic acid
CID 71765674
[2-[2-(4-tetradecoxyphenyl)ethylamino]phenyl]methanol
CID 86745967
1-(11-phenoxyundecyl)-3-pyridin-4-ylthiourea
CID 23296337
3-(3-phenoxypropoxy)pyridine
CID 86195847
5-bromo-2-(4-phenoxybutylamino)benzoic acid
CID 18803004
7-phenoxyheptan-1-ol
CID 15856264
5-iodo-N-(3-phenoxypropyl)pyrimidin-2-amine
CID 104839983
N-(10-phenoxydecyl)quinazolin-4-amine
CID 20545322
4-(5-phenoxypentyl)pyridine
CID 117060417
6-hydrazinyl-N-(3-phenoxypropyl)pyrazin-2-amine
CID 80918884

Frequently Asked Questions

What is the IUPAC name of [4-(4-phenoxybutylamino)-3-pyridinyl]methanol?
The IUPAC name of [4-(4-phenoxybutylamino)-3-pyridinyl]methanol (CID 155807392) is [4-(4-phenoxybutylamino)-3-pyridinyl]methanol.
What is the SMILES notation for [4-(4-phenoxybutylamino)-3-pyridinyl]methanol?
The canonical SMILES for [4-(4-phenoxybutylamino)-3-pyridinyl]methanol is OCc1cnccc1NCCCCOc1ccccc1.
What is the InChIKey of [4-(4-phenoxybutylamino)-3-pyridinyl]methanol?
The InChIKey is RJLUBHDRNYUPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-13-14-12-17-10-8-16(14)18-9-4-5-11-20-15-6-2-1-3-7-15/h1-3,6-8,10,12,19H,4-5,9,11,13H2,(H,17,18).
What are the key properties of [4-(4-phenoxybutylamino)-3-pyridinyl]methanol?
[4-(4-phenoxybutylamino)-3-pyridinyl]methanol has a molecular weight of 272.35 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-phenoxybutylamino)-3-pyridinyl]methanol is sourced from PubChem (CID 155807392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).