2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenoxy]-3-fluoropropan-1-ol

C19H22FNO2 — CID 59547143

IUPAC2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenoxy]-3-fluoropropan-1-ol
SMILESCN(C)c1ccc(/C=C/c2ccc(OC(CO)CF)cc2)cc1
InChIInChI=1S/C19H22FNO2/c1-21(2)17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)23-19(13-20)14-22/h3-12,19,22H,13-14H2,1-2H3/b4-3+
InChIKeyPKANTIVYKGEMMK-ONEGZZNKSA-N
MW315.39 g/mol
LogP3.63
Rot. Bonds7

About 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenoxy]-3-fluoropropan-1-ol

2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenoxy]-3-fluoropropan-1-ol (PubChem CID 59547143) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenoxy]-3-fluoropropan-1-ol.

Molecular Properties

Compound Name2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenoxy]-3-fluoropropan-1-ol
PubChem CID59547143
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenoxy]-3-fluoropropan-1-ol
SMILESCN(C)c1ccc(/C=C/c2ccc(OC(CO)CF)cc2)cc1
InChIInChI=1S/C19H22FNO2/c1-21(2)17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)23-19(13-20)14-22/h3-12,19,22H,13-14H2,1-2H3/b4-3+
InChIKeyPKANTIVYKGEMMK-ONEGZZNKSA-N
XLogP3.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(E)-2-(4-aminophenyl)ethenyl]phenoxy]propane-1,3-diol
CID 59547147
4-[(Z)-2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 92530704
4-[2-(4-ethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 67837040
4-[(E)-2-[4-[bis[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]methyl]phenyl]ethenyl]-N,N-dimethylaniline
CID 99649280
3-[4-(dimethylamino)phenyl]prop-2-en-1-ol
CID 53395716
4-[2-(3,5-dimethoxyphenyl)ethenyl]-N,N-dimethylaniline
CID 85073346
4-[(1E,4E)-5-[4-(dimethylamino)phenyl]penta-1,4-dienyl]-N,N-dimethylaniline
CID 58612965
4-N-[4-[(E)-2-[4-[(E)-2-[4-[4-(dimethylamino)-N-[4-(dimethylamino)phenyl]anilino]phenyl]ethenyl]phenyl]ethenyl]phenyl]-4-N-[4-(dimethylamino)phenyl]-1-N,1-N-dimethylbenzene-1,4-diamine
CID 166784252
CID 173417054
CID 173417054
2-ethoxy-1-[4-[2-[4-[4-(2-ethoxy-1-hydroxyethoxy)-N-[4-(2-ethoxy-1-hydroxyethoxy)phenyl]anilino]phenyl]ethenyl]phenoxy]ethanol
CID 89268743
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
4-[2-[4-(diethylamino)phenyl]ethenyl]-N,N-dimethylaniline
CID 71427638

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenoxy]-3-fluoropropan-1-ol?
The IUPAC name of 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenoxy]-3-fluoropropan-1-ol (CID 59547143) is 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenoxy]-3-fluoropropan-1-ol.
What is the SMILES notation for 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenoxy]-3-fluoropropan-1-ol?
The canonical SMILES for 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenoxy]-3-fluoropropan-1-ol is CN(C)c1ccc(/C=C/c2ccc(OC(CO)CF)cc2)cc1.
What is the InChIKey of 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenoxy]-3-fluoropropan-1-ol?
The InChIKey is PKANTIVYKGEMMK-ONEGZZNKSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-21(2)17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)23-19(13-20)14-22/h3-12,19,22H,13-14H2,1-2H3/b4-3+.
What are the key properties of 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenoxy]-3-fluoropropan-1-ol?
2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenoxy]-3-fluoropropan-1-ol has a molecular weight of 315.39 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenoxy]-3-fluoropropan-1-ol is sourced from PubChem (CID 59547143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).