5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine

C24H30BrNO2 — CID 150294144

IUPAC5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine
SMILESCC1(C)CCC(c2cc(OCCC3CC3)c(OCc3ccccc3)cc2Br)N1
InChIInChI=1S/C24H30BrNO2/c1-24(2)12-10-21(26-24)19-14-22(27-13-11-17-8-9-17)23(15-20(19)25)28-16-18-6-4-3-5-7-18/h3-7,14-15,17,21,26H,8-13,16H2,1-2H3
InChIKeyGIFQNGBTORBJHH-UHFFFAOYSA-N
MW444.41 g/mol
LogP6.41
Rot. Bonds8

About 5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine

5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine (PubChem CID 150294144) has the molecular formula C24H30BrNO2 and a molecular weight of 444.41 g/mol. Its IUPAC name is 5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine.

Molecular Properties

Compound Name5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine
PubChem CID150294144
Molecular FormulaC24H30BrNO2
Molecular Weight444.41 g/mol
Exact Mass443.15
IUPAC Name5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine
SMILESCC1(C)CCC(c2cc(OCCC3CC3)c(OCc3ccccc3)cc2Br)N1
InChIInChI=1S/C24H30BrNO2/c1-24(2)12-10-21(26-24)19-14-22(27-13-11-17-8-9-17)23(15-20(19)25)28-16-18-6-4-3-5-7-18/h3-7,14-15,17,21,26H,8-13,16H2,1-2H3
InChIKeyGIFQNGBTORBJHH-UHFFFAOYSA-N
XLogP6.41
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.41
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidine
CID 135290304
5-(2-bromo-4-methoxy-5-phenylmethoxyphenyl)-1-hydroxy-2,2-dimethylpyrrolidine
CID 135296695
5-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]-2,2-dimethyl-1-nitrosopyrrolidine
CID 135297112
(4S)-5-acetyl-4-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
CID 1309860
6-bromo-1,1,4,4-tetramethyl-7-phenylmethoxy-2,3-dihydronaphthalene
CID 22345420
1-bromo-2-methyl-4,5-bis(phenylmethoxy)benzene
CID 135397184
(5S)-5-(2-bromo-4-chloro-5-phenylmethoxyphenyl)-2,2-dimethylpyrrolidin-1-amine
CID 135290299
3-(4-bromo-5-methoxy-2-phenylmethoxyphenyl)azetidine
CID 166080761
(7S)-7-(2-bromo-5-ethoxy-4-phenylmethoxyphenyl)-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one
CID 137042770
1-bromo-4-(3-methoxypropoxy)-2-methyl-5-phenylmethoxybenzene
CID 135296706
1-[1-[2-bromo-5-(3-methoxypropoxy)-4-phenylmethoxyphenyl]propyl]-1-tert-butylhydrazine
CID 142409271
2-(2-phenylmethoxyphenyl)azetidine
CID 130043680

Frequently Asked Questions

What is the IUPAC name of 5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine?
The IUPAC name of 5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine (CID 150294144) is 5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine.
What is the SMILES notation for 5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine?
The canonical SMILES for 5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine is CC1(C)CCC(c2cc(OCCC3CC3)c(OCc3ccccc3)cc2Br)N1.
What is the InChIKey of 5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine?
The InChIKey is GIFQNGBTORBJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30BrNO2/c1-24(2)12-10-21(26-24)19-14-22(27-13-11-17-8-9-17)23(15-20(19)25)28-16-18-6-4-3-5-7-18/h3-7,14-15,17,21,26H,8-13,16H2,1-2H3.
What are the key properties of 5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine?
5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine has a molecular weight of 444.41 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-bromo-5-(2-cyclopropylethoxy)-4-phenylmethoxyphenyl]-2,2-dimethylpyrrolidine is sourced from PubChem (CID 150294144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).