5-ethyl-2,2-dimethyl-6-(4-methylphenyl)-7-phenyl-1,3-dihydropyrrolizine

C24H27N — CID 143398632

IUPAC5-ethyl-2,2-dimethyl-6-(4-methylphenyl)-7-phenyl-1,3-dihydropyrrolizine
SMILESCCc1c(-c2ccc(C)cc2)c(-c2ccccc2)c2n1CC(C)(C)C2
InChIInChI=1S/C24H27N/c1-5-20-22(19-13-11-17(2)12-14-19)23(18-9-7-6-8-10-18)21-15-24(3,4)16-25(20)21/h6-14H,5,15-16H2,1-4H3
InChIKeyYGEMBRGOOHXLKG-UHFFFAOYSA-N
MW329.49 g/mol
LogP6.28
Rot. Bonds3

About 5-ethyl-2,2-dimethyl-6-(4-methylphenyl)-7-phenyl-1,3-dihydropyrrolizine

5-ethyl-2,2-dimethyl-6-(4-methylphenyl)-7-phenyl-1,3-dihydropyrrolizine (PubChem CID 143398632) has the molecular formula C24H27N and a molecular weight of 329.49 g/mol. Its IUPAC name is 5-ethyl-2,2-dimethyl-6-(4-methylphenyl)-7-phenyl-1,3-dihydropyrrolizine.

Molecular Properties

Compound Name5-ethyl-2,2-dimethyl-6-(4-methylphenyl)-7-phenyl-1,3-dihydropyrrolizine
PubChem CID143398632
Molecular FormulaC24H27N
Molecular Weight329.49 g/mol
Exact Mass329.21
IUPAC Name5-ethyl-2,2-dimethyl-6-(4-methylphenyl)-7-phenyl-1,3-dihydropyrrolizine
SMILESCCc1c(-c2ccc(C)cc2)c(-c2ccccc2)c2n1CC(C)(C)C2
InChIInChI=1S/C24H27N/c1-5-20-22(19-13-11-17(2)12-14-19)23(18-9-7-6-8-10-18)21-15-24(3,4)16-25(20)21/h6-14H,5,15-16H2,1-4H3
InChIKeyYGEMBRGOOHXLKG-UHFFFAOYSA-N
XLogP6.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.49
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(4-methoxyphenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid
CID 10362121
ethyl 2-[2-(2-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate
CID 10024393
2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetic acid;2-hydroxyethyl(trimethyl)azanium
CID 67016397
2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetate;2-hydroxyethyl(trimethyl)azanium
CID 46189831
2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]-2-hydroxyacetic acid
CID 22500666
2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]-2-oxoacetic acid
CID 71166695
methyl (2R)-2-acetamido-3-[2-[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl]acetyl]sulfanylpropanoate
CID 59487806
2,2-dimethyl-6,7-diphenyl-1,3-dihydropyrrolizine
CID 14027414
[2-(4-chlorophenyl)-6,6-dimethyl-1-phenyl-5,7-dihydropyrrolizin-3-yl] carbonochloridate;ethene
CID 142077908
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
2,2-dimethyl-6-(4-phenoxyphenyl)-7-phenyl-1,3-dihydropyrrolizine
CID 10091129

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,2-dimethyl-6-(4-methylphenyl)-7-phenyl-1,3-dihydropyrrolizine?
The IUPAC name of 5-ethyl-2,2-dimethyl-6-(4-methylphenyl)-7-phenyl-1,3-dihydropyrrolizine (CID 143398632) is 5-ethyl-2,2-dimethyl-6-(4-methylphenyl)-7-phenyl-1,3-dihydropyrrolizine.
What is the SMILES notation for 5-ethyl-2,2-dimethyl-6-(4-methylphenyl)-7-phenyl-1,3-dihydropyrrolizine?
The canonical SMILES for 5-ethyl-2,2-dimethyl-6-(4-methylphenyl)-7-phenyl-1,3-dihydropyrrolizine is CCc1c(-c2ccc(C)cc2)c(-c2ccccc2)c2n1CC(C)(C)C2.
What is the InChIKey of 5-ethyl-2,2-dimethyl-6-(4-methylphenyl)-7-phenyl-1,3-dihydropyrrolizine?
The InChIKey is YGEMBRGOOHXLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N/c1-5-20-22(19-13-11-17(2)12-14-19)23(18-9-7-6-8-10-18)21-15-24(3,4)16-25(20)21/h6-14H,5,15-16H2,1-4H3.
What are the key properties of 5-ethyl-2,2-dimethyl-6-(4-methylphenyl)-7-phenyl-1,3-dihydropyrrolizine?
5-ethyl-2,2-dimethyl-6-(4-methylphenyl)-7-phenyl-1,3-dihydropyrrolizine has a molecular weight of 329.49 g/mol, XLogP of 6.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,2-dimethyl-6-(4-methylphenyl)-7-phenyl-1,3-dihydropyrrolizine is sourced from PubChem (CID 143398632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).