(Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol

C18H20FNO — CID 102170797

IUPAC(Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol
SMILESCN(C/C=C(\F)C(O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20FNO/c1-20(14-15-8-4-2-5-9-15)13-12-17(19)18(21)16-10-6-3-7-11-16/h2-12,18,21H,13-14H2,1H3/b17-12-
InChIKeyJZZMGWMGFXNULD-ATVHPVEESA-N
MW285.36 g/mol
LogP3.71
Rot. Bonds6

About (Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol

(Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol (PubChem CID 102170797) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol.

Molecular Properties

Compound Name(Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol
PubChem CID102170797
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol
SMILESCN(C/C=C(\F)C(O)c1ccccc1)Cc1ccccc1
InChIInChI=1S/C18H20FNO/c1-20(14-15-8-4-2-5-9-15)13-12-17(19)18(21)16-10-6-3-7-11-16/h2-12,18,21H,13-14H2,1H3/b17-12-
InChIKeyJZZMGWMGFXNULD-ATVHPVEESA-N
XLogP3.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4374
Methylephedrine
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Glemanserin
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3-(Dimethylamino)-1-phenylpropan-1-ol
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4-Phenyl-1-(phenylmethyl)-4-piperidinol
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Lobelanidine
CID 442646
(1S,2S)-(+)-N-Methylpseudoephedrine
CID 7059596
Etafedrine
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[1-[2-(4-Fluorophenyl)ethyl]piperidin-4-yl]-phenylmethanol
CID 44363475
Benzyl alcohol, alpha-(phenethylamino)methyl-
CID 20118

Frequently Asked Questions

What is the IUPAC name of (Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol?
The IUPAC name of (Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol (CID 102170797) is (Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol.
What is the SMILES notation for (Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol?
The canonical SMILES for (Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol is CN(C/C=C(\F)C(O)c1ccccc1)Cc1ccccc1.
What is the InChIKey of (Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol?
The InChIKey is JZZMGWMGFXNULD-ATVHPVEESA-N. The full InChI is InChI=1S/C18H20FNO/c1-20(14-15-8-4-2-5-9-15)13-12-17(19)18(21)16-10-6-3-7-11-16/h2-12,18,21H,13-14H2,1H3/b17-12-.
What are the key properties of (Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol?
(Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol has a molecular weight of 285.36 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[benzyl(methyl)amino]-2-fluoro-1-phenylbut-2-en-1-ol is sourced from PubChem (CID 102170797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).