5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole

C31H34N2O2 — CID 158395221

IUPAC5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole
SMILESCc1cc(COc2ccc(C3=NCCC3)cc2C)cc(COc2ccc(C3=NCCC3)cc2C)c1
InChIInChI=1S/C31H34N2O2/c1-21-14-24(19-34-30-10-8-26(16-22(30)2)28-6-4-12-32-28)18-25(15-21)20-35-31-11-9-27(17-23(31)3)29-7-5-13-33-29/h8-11,14-18H,4-7,12-13,19-20H2,1-3H3
InChIKeyGXLSSUGZQPUCSJ-UHFFFAOYSA-N
MW466.63 g/mol
LogP6.94
Rot. Bonds8

About 5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole

5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 158395221) has the molecular formula C31H34N2O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is 5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole
PubChem CID158395221
Molecular FormulaC31H34N2O2
Molecular Weight466.63 g/mol
Exact Mass466.26
IUPAC Name5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole
SMILESCc1cc(COc2ccc(C3=NCCC3)cc2C)cc(COc2ccc(C3=NCCC3)cc2C)c1
InChIInChI=1S/C31H34N2O2/c1-21-14-24(19-34-30-10-8-26(16-22(30)2)28-6-4-12-32-28)18-25(15-21)20-35-31-11-9-27(17-23(31)3)29-7-5-13-33-29/h8-11,14-18H,4-7,12-13,19-20H2,1-3H3
InChIKeyGXLSSUGZQPUCSJ-UHFFFAOYSA-N
XLogP6.94
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.63
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole with MolForge

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Related Compounds

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CID 142190093
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CID 143212596
6-(4-ethylphenyl)-2,3,4,5-tetrahydropyridine
CID 151560856
2-methyl-4-(2,3,4,5-tetrahydropyridin-6-yl)pyridine
CID 102544229
[3-chloro-4-[(3,5-dimethylphenyl)methoxy]phenyl]methanamine
CID 54983856
3-[(2,4-dimethylphenoxy)methyl]-5-(3,5-dimethylphenyl)pyridine
CID 42851737
1-ethoxy-2-methyl-4-(4-methylphenyl)benzene
CID 59737736
3-methyl-5-(2,3,4,5-tetrahydropyridin-6-yl)pyridin-2-amine
CID 102542767
2-[3-chloro-4-[(4-methylphenyl)methoxy]phenyl]-4,5-dihydro-1,3-thiazole
CID 132593167
5-(3,4-dihydro-2H-pyrrol-5-yl)-N-propylpyridin-2-amine
CID 102540088
1-[3-methyl-4-[(4-methylphenyl)methoxy]phenyl]ethanol
CID 82089007
1-[[2-bromo-4-(bromomethyl)phenoxy]methyl]-3,5-dimethylbenzene
CID 63534399

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole (CID 158395221) is 5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole is Cc1cc(COc2ccc(C3=NCCC3)cc2C)cc(COc2ccc(C3=NCCC3)cc2C)c1.
What is the InChIKey of 5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is GXLSSUGZQPUCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O2/c1-21-14-24(19-34-30-10-8-26(16-22(30)2)28-6-4-12-32-28)18-25(15-21)20-35-31-11-9-27(17-23(31)3)29-7-5-13-33-29/h8-11,14-18H,4-7,12-13,19-20H2,1-3H3.
What are the key properties of 5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole?
5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 466.63 g/mol, XLogP of 6.94, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[3-[[4-(3,4-dihydro-2H-pyrrol-5-yl)-2-methylphenoxy]methyl]-5-methylphenyl]methoxy]-3-methylphenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 158395221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).