4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol

C24H26N2O2 — CID 71617143

IUPAC4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol
SMILESCC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)nc1)c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-3-22(18-7-5-4-6-8-18)24(19-9-12-21(27)13-10-19)20-11-14-23(26-17-20)28-16-15-25-2/h4-14,17,25,27H,3,15-16H2,1-2H3/b24-22+
InChIKeyFHJKXGKRMUTJMH-ZNTNEXAZSA-N
MW374.48 g/mol
LogP4.75
Rot. Bonds8

About 4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol

4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol (PubChem CID 71617143) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol
PubChem CID71617143
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol
SMILESCC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)nc1)c1ccccc1
InChIInChI=1S/C24H26N2O2/c1-3-22(18-7-5-4-6-8-18)24(19-9-12-21(27)13-10-19)20-11-14-23(26-17-20)28-16-15-25-2/h4-14,17,25,27H,3,15-16H2,1-2H3/b24-22+
InChIKeyFHJKXGKRMUTJMH-ZNTNEXAZSA-N
XLogP4.75
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.75
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
4-[(Z)-1-[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol;hydrochloride
CID 71617144
3-[(E)-1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenol
CID 3035880
N-[2-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]formamide
CID 176680471
6-[2-[4-[2-(methylamino)ethoxy]phenyl]-3-phenylpent-2-enyl]pyridin-3-ol
CID 123768993
4-[(Z)-1-[4-(2-chloroethoxy)phenyl]-2-phenylbut-1-enyl]phenol
CID 6372844
[4-[1-[4-[2-(methylamino)ethoxy]phenyl]-2-phenylbut-1-enyl]phenyl] dihydrogen phosphate;phosphoric acid
CID 173074726
acetic acid;4-(1,2-diphenylbut-1-enyl)phenol
CID 71332420
4-[(Z)-1-(4-methylphenyl)-2-phenylbut-1-enyl]phenol
CID 10567272
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
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol?
The IUPAC name of 4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol (CID 71617143) is 4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol.
What is the SMILES notation for 4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol?
The canonical SMILES for 4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol is CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCNC)nc1)c1ccccc1.
What is the InChIKey of 4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol?
The InChIKey is FHJKXGKRMUTJMH-ZNTNEXAZSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-3-22(18-7-5-4-6-8-18)24(19-9-12-21(27)13-10-19)20-11-14-23(26-17-20)28-16-15-25-2/h4-14,17,25,27H,3,15-16H2,1-2H3/b24-22+.
What are the key properties of 4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol?
4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol has a molecular weight of 374.48 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-[6-[2-(methylamino)ethoxy]-3-pyridinyl]-2-phenylbut-1-enyl]phenol is sourced from PubChem (CID 71617143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).