4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol

C17H20N2O2 — CID 18384976

IUPAC4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol
SMILESCNC(C)C/C=C/c1cncc(Oc2ccc(O)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-13(18-2)4-3-5-14-10-17(12-19-11-14)21-16-8-6-15(20)7-9-16/h3,5-13,18,20H,4H2,1-2H3/b5-3+
InChIKeyJGRCSOGGGGUJSU-HWKANZROSA-N
MW284.36 g/mol
LogP3.59
Rot. Bonds6

About 4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol

4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol (PubChem CID 18384976) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol.

Molecular Properties

Compound Name4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol
PubChem CID18384976
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol
SMILESCNC(C)C/C=C/c1cncc(Oc2ccc(O)cc2)c1
InChIInChI=1S/C17H20N2O2/c1-13(18-2)4-3-5-14-10-17(12-19-11-14)21-16-8-6-15(20)7-9-16/h3,5-13,18,20H,4H2,1-2H3/b5-3+
InChIKeyJGRCSOGGGGUJSU-HWKANZROSA-N
XLogP3.59
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol?
The IUPAC name of 4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol (CID 18384976) is 4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol.
What is the SMILES notation for 4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol?
The canonical SMILES for 4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol is CNC(C)C/C=C/c1cncc(Oc2ccc(O)cc2)c1.
What is the InChIKey of 4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol?
The InChIKey is JGRCSOGGGGUJSU-HWKANZROSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(18-2)4-3-5-14-10-17(12-19-11-14)21-16-8-6-15(20)7-9-16/h3,5-13,18,20H,4H2,1-2H3/b5-3+.
What are the key properties of 4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol?
4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol has a molecular weight of 284.36 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(E)-4-(methylamino)pent-1-enyl]-3-pyridinyl]oxy]phenol is sourced from PubChem (CID 18384976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).