(E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol

C23H30FNO2 — CID 22642700

IUPAC(E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol
SMILESCOc1ccc(/C=C(\C)C(O)(Cc2cccc(F)c2)C(C)CN(C)C)cc1
InChIInChI=1S/C23H30FNO2/c1-17(13-19-9-11-22(27-5)12-10-19)23(26,18(2)16-25(3)4)15-20-7-6-8-21(24)14-20/h6-14,18,26H,15-16H2,1-5H3/b17-13+
InChIKeyQRXBTCHPSDGSSC-GHRIWEEISA-N
MW371.50 g/mol
LogP4.41
Rot. Bonds8

About (E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol

(E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol (PubChem CID 22642700) has the molecular formula C23H30FNO2 and a molecular weight of 371.50 g/mol. Its IUPAC name is (E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol.

Molecular Properties

Compound Name(E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol
PubChem CID22642700
Molecular FormulaC23H30FNO2
Molecular Weight371.50 g/mol
Exact Mass371.23
IUPAC Name(E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol
SMILESCOc1ccc(/C=C(\C)C(O)(Cc2cccc(F)c2)C(C)CN(C)C)cc1
InChIInChI=1S/C23H30FNO2/c1-17(13-19-9-11-22(27-5)12-10-19)23(26,18(2)16-25(3)4)15-20-7-6-8-21(24)14-20/h6-14,18,26H,15-16H2,1-5H3/b17-13+
InChIKeyQRXBTCHPSDGSSC-GHRIWEEISA-N
XLogP4.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-5-(dimethylamino)-1-(4-methoxyphenyl)-2,4-dimethyl-3-(2-phenylethyl)pent-1-en-3-ol
CID 22643026
(E)-5-(dimethylamino)-3-(3-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 10131431
3-[1-(dimethylamino)propan-2-yl]-2-methyl-1,6-diphenylhex-1-en-3-ol
CID 69338574
1-(dimethylamino)-3-[(3-methoxyphenyl)methyl]-2-methylpentan-3-ol
CID 174842285
(Z)-5-(dimethylamino)-3-(4-fluorophenyl)-2,4-dimethyl-1-phenylpent-1-en-3-ol
CID 69339308
1-fluoro-3-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 89327803
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
(2R,3R)-1-(dimethylamino)-3-(3-fluorophenyl)-2-methylpentan-3-ol
CID 59958915
2-[(dimethylamino)methyl]-1-[(3-fluorophenyl)methyl]-5-[(4-methoxyphenyl)methylidene]cyclopentan-1-ol
CID 69339709
1-(3-fluorophenyl)-2,3-dimethylbut-3-en-2-ol
CID 114833422
N'-[(3-fluorophenyl)methyl]-N,N'-dimethylmethanediamine;N'-[(4-methoxyphenyl)methyl]-N,N'-dimethylmethanediamine
CID 177179048
N-[2-(3-fluorophenyl)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 43494996

Frequently Asked Questions

What is the IUPAC name of (E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol?
The IUPAC name of (E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol (CID 22642700) is (E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol.
What is the SMILES notation for (E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol?
The canonical SMILES for (E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol is COc1ccc(/C=C(\C)C(O)(Cc2cccc(F)c2)C(C)CN(C)C)cc1.
What is the InChIKey of (E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol?
The InChIKey is QRXBTCHPSDGSSC-GHRIWEEISA-N. The full InChI is InChI=1S/C23H30FNO2/c1-17(13-19-9-11-22(27-5)12-10-19)23(26,18(2)16-25(3)4)15-20-7-6-8-21(24)14-20/h6-14,18,26H,15-16H2,1-5H3/b17-13+.
What are the key properties of (E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol?
(E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol has a molecular weight of 371.50 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(dimethylamino)-3-[(3-fluorophenyl)methyl]-1-(4-methoxyphenyl)-2,4-dimethylpent-1-en-3-ol is sourced from PubChem (CID 22642700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).