(2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]propan-2-amine

C24H23N3O — CID 23646981

IUPAC(2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(/C=C/c2ccccc2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H23N3O/c25-21(13-20-15-27-24-9-5-4-8-23(20)24)17-28-22-12-19(14-26-16-22)11-10-18-6-2-1-3-7-18/h1-12,14-16,21,27H,13,17,25H2/b11-10+/t21-/m0/s1
InChIKeyPZVBXJMNKIEPTA-ZJVMWOEPSA-N
MW369.47 g/mol
LogP4.68
Rot. Bonds7

About (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]propan-2-amine

(2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]propan-2-amine (PubChem CID 23646981) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]propan-2-amine
PubChem CID23646981
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC Name(2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]propan-2-amine
SMILESN[C@H](COc1cncc(/C=C/c2ccccc2)c1)Cc1c[nH]c2ccccc12
InChIInChI=1S/C24H23N3O/c25-21(13-20-15-27-24-9-5-4-8-23(20)24)17-28-22-12-19(14-26-16-22)11-10-18-6-2-1-3-7-18/h1-12,14-16,21,27H,13,17,25H2/b11-10+/t21-/m0/s1
InChIKeyPZVBXJMNKIEPTA-ZJVMWOEPSA-N
XLogP4.68
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]propan-2-amine?
The IUPAC name of (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]propan-2-amine (CID 23646981) is (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]propan-2-amine.
What is the SMILES notation for (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]propan-2-amine?
The canonical SMILES for (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]propan-2-amine is N[C@H](COc1cncc(/C=C/c2ccccc2)c1)Cc1c[nH]c2ccccc12.
What is the InChIKey of (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]propan-2-amine?
The InChIKey is PZVBXJMNKIEPTA-ZJVMWOEPSA-N. The full InChI is InChI=1S/C24H23N3O/c25-21(13-20-15-27-24-9-5-4-8-23(20)24)17-28-22-12-19(14-26-16-22)11-10-18-6-2-1-3-7-18/h1-12,14-16,21,27H,13,17,25H2/b11-10+/t21-/m0/s1.
What are the key properties of (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]propan-2-amine?
(2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]propan-2-amine has a molecular weight of 369.47 g/mol, XLogP of 4.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(1H-indol-3-yl)-3-[[5-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]propan-2-amine is sourced from PubChem (CID 23646981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).