2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanol

C26H29NO2 — CID 155689931

IUPAC2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanol
SMILESCOc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCO)cc1
InChIInChI=1S/C26H29NO2/c1-21(22-13-15-25(29-2)16-14-22)27(19-20-28)18-17-26(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-17,21,28H,18-20H2,1-2H3/t21-/m1/s1
InChIKeyACTNQFLUPYYYGY-OAQYLSRUSA-N
MW387.52 g/mol
LogP5.18
Rot. Bonds9

About 2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanol

2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanol (PubChem CID 155689931) has the molecular formula C26H29NO2 and a molecular weight of 387.52 g/mol. Its IUPAC name is 2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanol
PubChem CID155689931
Molecular FormulaC26H29NO2
Molecular Weight387.52 g/mol
Exact Mass387.22
IUPAC Name2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanol
SMILESCOc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCO)cc1
InChIInChI=1S/C26H29NO2/c1-21(22-13-15-25(29-2)16-14-22)27(19-20-28)18-17-26(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-17,21,28H,18-20H2,1-2H3/t21-/m1/s1
InChIKeyACTNQFLUPYYYGY-OAQYLSRUSA-N
XLogP5.18
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.52
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanol?
The IUPAC name of 2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanol (CID 155689931) is 2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanol?
The canonical SMILES for 2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanol is COc1ccc([C@@H](C)N(CC=C(c2ccccc2)c2ccccc2)CCO)cc1.
What is the InChIKey of 2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanol?
The InChIKey is ACTNQFLUPYYYGY-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H29NO2/c1-21(22-13-15-25(29-2)16-14-22)27(19-20-28)18-17-26(23-9-5-3-6-10-23)24-11-7-4-8-12-24/h3-17,21,28H,18-20H2,1-2H3/t21-/m1/s1.
What are the key properties of 2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanol?
2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanol has a molecular weight of 387.52 g/mol, XLogP of 5.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3-diphenylprop-2-enyl-[(1R)-1-(4-methoxyphenyl)ethyl]amino]ethanol is sourced from PubChem (CID 155689931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).