5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine

C20H24BrNO2 — CID 135290304

IUPAC5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine
SMILESCOc1cc(Br)c(C2CCC(C)(C)N2)cc1OCc1ccccc1
InChIInChI=1S/C20H24BrNO2/c1-20(2)10-9-17(22-20)15-11-19(18(23-3)12-16(15)21)24-13-14-7-5-4-6-8-14/h4-8,11-12,17,22H,9-10,13H2,1-3H3
InChIKeyPHCWNFIHVHZAQT-UHFFFAOYSA-N
MW390.32 g/mol
LogP5.24
Rot. Bonds5

About 5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine

5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine (PubChem CID 135290304) has the molecular formula C20H24BrNO2 and a molecular weight of 390.32 g/mol. Its IUPAC name is 5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine
PubChem CID135290304
Molecular FormulaC20H24BrNO2
Molecular Weight390.32 g/mol
Exact Mass389.10
IUPAC Name5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine
SMILESCOc1cc(Br)c(C2CCC(C)(C)N2)cc1OCc1ccccc1
InChIInChI=1S/C20H24BrNO2/c1-20(2)10-9-17(22-20)15-11-19(18(23-3)12-16(15)21)24-13-14-7-5-4-6-8-14/h4-8,11-12,17,22H,9-10,13H2,1-3H3
InChIKeyPHCWNFIHVHZAQT-UHFFFAOYSA-N
XLogP5.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.32
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine
CID 150294144
5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-1-hydroxy-2,2-dimethylpyrrolidine
CID 135296695
3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine
CID 166080761
1-bromo-2-(bromomethyl)-4-methoxy-5-phenylmethoxybenzene
CID 12062736
(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl-cyclopentylazanium
CID 7454835
5-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]-2,2-dimethyl-1-nitrosopyrrolidine
CID 135297112
1-(5-bromo-2,4-dimethoxyphenyl)-6-methoxy-7-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 4240818
(4S)-5-acetyl-4-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 1309860
1-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3369905
1-bromo-5-methoxy-2-(nitrosomethyl)-4-phenylmethoxybenzene
CID 126540380
1-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 4011092
6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene
CID 22345420

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine?
The IUPAC name of 5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine (CID 135290304) is 5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine.
What is the SMILES notation for 5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine?
The canonical SMILES for 5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine is COc1cc(Br)c(C2CCC(C)(C)N2)cc1OCc1ccccc1.
What is the InChIKey of 5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine?
The InChIKey is PHCWNFIHVHZAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrNO2/c1-20(2)10-9-17(22-20)15-11-19(18(23-3)12-16(15)21)24-13-14-7-5-4-6-8-14/h4-8,11-12,17,22H,9-10,13H2,1-3H3.
What are the key properties of 5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine?
5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine has a molecular weight of 390.32 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine is sourced from PubChem (CID 135290304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).