1H-indole;2-[4-[(2-phenylindol-1-yl)methyl]phenoxy]ethanamine

C31H29N3O — CID 19596034

IUPAC1H-indole;2-[4-[(2-phenylindol-1-yl)methyl]phenoxy]ethanamine
SMILESNCCOc1ccc(Cn2c(-c3ccccc3)cc3ccccc32)cc1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C23H22N2O.C8H7N/c24-14-15-26-21-12-10-18(11-13-21)17-25-22-9-5-4-8-20(22)16-23(25)19-6-2-1-3-7-19;1-2-4-8-7(3-1)5-6-9-8/h1-13,16H,14-15,17,24H2;1-6,9H
InChIKeyFTBVIFWFXRDAAO-UHFFFAOYSA-N
MW459.59 g/mol
LogP6.86
Rot. Bonds6

About 1H-indole;2-[4-[(2-phenylindol-1-yl)methyl]phenoxy]ethanamine

1H-indole;2-[4-[(2-phenylindol-1-yl)methyl]phenoxy]ethanamine (PubChem CID 19596034) has the molecular formula C31H29N3O and a molecular weight of 459.59 g/mol. Its IUPAC name is 1H-indole;2-[4-[(2-phenylindol-1-yl)methyl]phenoxy]ethanamine.

Molecular Properties

Compound Name1H-indole;2-[4-[(2-phenylindol-1-yl)methyl]phenoxy]ethanamine
PubChem CID19596034
Molecular FormulaC31H29N3O
Molecular Weight459.59 g/mol
Exact Mass459.23
IUPAC Name1H-indole;2-[4-[(2-phenylindol-1-yl)methyl]phenoxy]ethanamine
SMILESNCCOc1ccc(Cn2c(-c3ccccc3)cc3ccccc32)cc1.c1ccc2[nH]ccc2c1
InChIInChI=1S/C23H22N2O.C8H7N/c24-14-15-26-21-12-10-18(11-13-21)17-25-22-9-5-4-8-20(22)16-23(25)19-6-2-1-3-7-19;1-2-4-8-7(3-1)5-6-9-8/h1-13,16H,14-15,17,24H2;1-6,9H
InChIKeyFTBVIFWFXRDAAO-UHFFFAOYSA-N
XLogP6.86
TPSA55.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-indole;2-[4-[(2-phenylindol-1-yl)methyl]phenoxy]ethanamine?
The IUPAC name of 1H-indole;2-[4-[(2-phenylindol-1-yl)methyl]phenoxy]ethanamine (CID 19596034) is 1H-indole;2-[4-[(2-phenylindol-1-yl)methyl]phenoxy]ethanamine.
What is the SMILES notation for 1H-indole;2-[4-[(2-phenylindol-1-yl)methyl]phenoxy]ethanamine?
The canonical SMILES for 1H-indole;2-[4-[(2-phenylindol-1-yl)methyl]phenoxy]ethanamine is NCCOc1ccc(Cn2c(-c3ccccc3)cc3ccccc32)cc1.c1ccc2[nH]ccc2c1.
What is the InChIKey of 1H-indole;2-[4-[(2-phenylindol-1-yl)methyl]phenoxy]ethanamine?
The InChIKey is FTBVIFWFXRDAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O.C8H7N/c24-14-15-26-21-12-10-18(11-13-21)17-25-22-9-5-4-8-20(22)16-23(25)19-6-2-1-3-7-19;1-2-4-8-7(3-1)5-6-9-8/h1-13,16H,14-15,17,24H2;1-6,9H.
What are the key properties of 1H-indole;2-[4-[(2-phenylindol-1-yl)methyl]phenoxy]ethanamine?
1H-indole;2-[4-[(2-phenylindol-1-yl)methyl]phenoxy]ethanamine has a molecular weight of 459.59 g/mol, XLogP of 6.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indole;2-[4-[(2-phenylindol-1-yl)methyl]phenoxy]ethanamine is sourced from PubChem (CID 19596034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).