1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole

C34H34N2O2 — CID 22111297

IUPAC1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole
SMILESCOC1CCN(Cc2ccc(Cn3c(-c4ccc(OCc5ccccc5)cc4)cc4ccccc43)cc2)C1
InChIInChI=1S/C34H34N2O2/c1-37-32-19-20-35(24-32)22-26-11-13-27(14-12-26)23-36-33-10-6-5-9-30(33)21-34(36)29-15-17-31(18-16-29)38-25-28-7-3-2-4-8-28/h2-18,21,32H,19-20,22-25H2,1H3
InChIKeyNQCLTTRYXKWJBJ-UHFFFAOYSA-N
MW502.66 g/mol
LogP7.16
Rot. Bonds9

About 1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole

1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole (PubChem CID 22111297) has the molecular formula C34H34N2O2 and a molecular weight of 502.66 g/mol. Its IUPAC name is 1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole.

Molecular Properties

Compound Name1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole
PubChem CID22111297
Molecular FormulaC34H34N2O2
Molecular Weight502.66 g/mol
Exact Mass502.26
IUPAC Name1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole
SMILESCOC1CCN(Cc2ccc(Cn3c(-c4ccc(OCc5ccccc5)cc4)cc4ccccc43)cc2)C1
InChIInChI=1S/C34H34N2O2/c1-37-32-19-20-35(24-32)22-26-11-13-27(14-12-26)23-36-33-10-6-5-9-30(33)21-34(36)29-15-17-31(18-16-29)38-25-28-7-3-2-4-8-28/h2-18,21,32H,19-20,22-25H2,1H3
InChIKeyNQCLTTRYXKWJBJ-UHFFFAOYSA-N
XLogP7.16
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methane;1-[[3-methoxy-4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole
CID 159072190
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
methyl 3-[4-[[4-[(2-phenylindol-1-yl)methyl]phenyl]methoxy]phenyl]propanoate
CID 23159895
(3S)-1-[(2-bromo-5-phenylmethoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647772
(3R)-1-[(2-bromo-4-phenylmethoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647748
1-[[4-[2-(3-methoxypiperidin-1-yl)ethoxy]phenyl]methyl]-3-methyl-5-phenylmethoxy-2-(4-phenylmethoxyphenyl)indole
CID 10168648
2-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]indole
CID 22387400
(2R)-1-(4-benzylpiperazin-1-yl)-3-[2-(4-methoxyphenyl)indol-1-yl]propan-2-ol
CID 1180094
N-methyl-1-[1-[(4-phenylmethoxyphenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119922021
(2S)-4-[(4-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)morpholine
CID 67352433
[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methanamine
CID 103531169
1-[(3-bromo-2-phenylmethoxyphenyl)methyl]-3-methoxypyrrolidine
CID 172647805

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole?
The IUPAC name of 1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole (CID 22111297) is 1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole.
What is the SMILES notation for 1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole?
The canonical SMILES for 1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole is COC1CCN(Cc2ccc(Cn3c(-c4ccc(OCc5ccccc5)cc4)cc4ccccc43)cc2)C1.
What is the InChIKey of 1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole?
The InChIKey is NQCLTTRYXKWJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N2O2/c1-37-32-19-20-35(24-32)22-26-11-13-27(14-12-26)23-36-33-10-6-5-9-30(33)21-34(36)29-15-17-31(18-16-29)38-25-28-7-3-2-4-8-28/h2-18,21,32H,19-20,22-25H2,1H3.
What are the key properties of 1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole?
1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole has a molecular weight of 502.66 g/mol, XLogP of 7.16, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(3-methoxypyrrolidin-1-yl)methyl]phenyl]methyl]-2-(4-phenylmethoxyphenyl)indole is sourced from PubChem (CID 22111297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).