6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol

C25H28N2O2 — CID 123768993

IUPAC6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol
SMILESCCC(=C(Cc1ccc(O)cn1)c1ccc(OCCNC)cc1)c1ccccc1
InChIInChI=1S/C25H28N2O2/c1-3-24(19-7-5-4-6-8-19)25(17-21-11-12-22(28)18-27-21)20-9-13-23(14-10-20)29-16-15-26-2/h4-14,18,26,28H,3,15-17H2,1-2H3
InChIKeyLFCADAVQHDBUAP-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.95
Rot. Bonds9

About 6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol

6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol (PubChem CID 123768993) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol.

Molecular Properties

Compound Name6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol
PubChem CID123768993
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol
SMILESCCC(=C(Cc1ccc(O)cn1)c1ccc(OCCNC)cc1)c1ccccc1
InChIInChI=1S/C25H28N2O2/c1-3-24(19-7-5-4-6-8-19)25(17-21-11-12-22(28)18-27-21)20-9-13-23(14-10-20)29-16-15-26-2/h4-14,18,26,28H,3,15-17H2,1-2H3
InChIKeyLFCADAVQHDBUAP-UHFFFAOYSA-N
XLogP4.95
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(Z)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol;hydrochloride
CID 54613017
N-methyl-2-[4-[1-(4-methylphenyl)-3-phenylpent-2-en-2-yl]phenoxy]ethanamine
CID 91042186
3-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 3035880
4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol
CID 71617143
6-[(2-phenoxyethylamino)methyl]pyridin-3-ol
CID 79783259
N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide
CID 176680471
[4-[1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] dihydrogen phosphate;phosphoric acid
CID 173074726
4-[C-[4-[2-(methylamino)ethoxy]phenyl]-N-phenylcarbonimidoyl]phenol
CID 154975242
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844
4-[3-(2,3-dihydro-1-benzofuran-5-yl)-2-[4-[2-(methylamino)ethoxy]phenyl]pent-2-enyl]phenol
CID 123588284
2-[4-[(E)-1,2-bis(4-fluorophenyl)but-1-enyl]phenoxy]-N-methylethanamine
CID 70876118
3-[(Z)-1-[4-[2-(ethylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 13106546

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol?
The IUPAC name of 6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol (CID 123768993) is 6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol.
What is the SMILES notation for 6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol?
The canonical SMILES for 6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol is CCC(=C(Cc1ccc(O)cn1)c1ccc(OCCNC)cc1)c1ccccc1.
What is the InChIKey of 6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol?
The InChIKey is LFCADAVQHDBUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-3-24(19-7-5-4-6-8-19)25(17-21-11-12-22(28)18-27-21)20-9-13-23(14-10-20)29-16-15-26-2/h4-14,18,26,28H,3,15-17H2,1-2H3.
What are the key properties of 6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol?
6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol has a molecular weight of 388.51 g/mol, XLogP of 4.95, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol is sourced from PubChem (CID 123768993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).