5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole

C22H20N2O — CID 90344559

IUPAC5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole
SMILESCC(c1ccncc1)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C22H20N2O/c1-16(18-9-11-23-12-10-18)21-14-24-22-8-7-19(13-20(21)22)25-15-17-5-3-2-4-6-17/h2-14,16,24H,15H2,1H3
InChIKeyYZRXBVDYJLQRAS-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.29
Rot. Bonds5

About 5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole

5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole (PubChem CID 90344559) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole.

Molecular Properties

Compound Name5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole
PubChem CID90344559
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole
SMILESCC(c1ccncc1)c1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C22H20N2O/c1-16(18-9-11-23-12-10-18)21-14-24-22-8-7-19(13-20(21)22)25-15-17-5-3-2-4-6-17/h2-14,16,24H,15H2,1H3
InChIKeyYZRXBVDYJLQRAS-UHFFFAOYSA-N
XLogP5.29
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenylmethoxy-N-pyridin-4-yl-1H-indol-3-amine
CID 19802663
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
(3R)-1,3-diphenyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-one
CID 50901902
3-(2-nitropropyl)-5-phenylmethoxy-1H-indole
CID 14083171
3-(3-ethoxybutyl)-5-phenylmethoxy-1H-indole
CID 162433914
2-(4-formylpiperazin-1-yl)-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid
CID 42649300
2-[2-(dimethylamino)ethylamino]-2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid
CID 42650547
ethyl (2S)-3-nitro-2-(5-phenylmethoxy-1H-indol-3-yl)propanoate
CID 155160271
2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 15137731
1-(6-phenylmethoxy-1H-indol-3-yl)ethyl formate
CID 174551857
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706
3-(3-methylbut-2-enyl)-5-phenylmethoxy-1H-indole
CID 10935197

Frequently Asked Questions

What is the IUPAC name of 5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole?
The IUPAC name of 5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole (CID 90344559) is 5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole.
What is the SMILES notation for 5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole?
The canonical SMILES for 5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole is CC(c1ccncc1)c1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole?
The InChIKey is YZRXBVDYJLQRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-16(18-9-11-23-12-10-18)21-14-24-22-8-7-19(13-20(21)22)25-15-17-5-3-2-4-6-17/h2-14,16,24H,15H2,1H3.
What are the key properties of 5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole?
5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole has a molecular weight of 328.42 g/mol, XLogP of 5.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmethoxy-3-(1-pyridin-4-ylethyl)-1H-indole is sourced from PubChem (CID 90344559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).