1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole

C20H25N — CID 69267798

IUPAC1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole
SMILESCC1(C)c2ccccc2C(C)(C)N1CCc1ccccc1
InChIInChI=1S/C20H25N/c1-19(2)17-12-8-9-13-18(17)20(3,4)21(19)15-14-16-10-6-5-7-11-16/h5-13H,14-15H2,1-4H3
InChIKeyIFWKDEUQTPFDAS-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.72
Rot. Bonds3

About 1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole

1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole (PubChem CID 69267798) has the molecular formula C20H25N and a molecular weight of 279.43 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole
PubChem CID69267798
Molecular FormulaC20H25N
Molecular Weight279.43 g/mol
Exact Mass279.20
IUPAC Name1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole
SMILESCC1(C)c2ccccc2C(C)(C)N1CCc1ccccc1
InChIInChI=1S/C20H25N/c1-19(2)17-12-8-9-13-18(17)20(3,4)21(19)15-14-16-10-6-5-7-11-16/h5-13H,14-15H2,1-4H3
InChIKeyIFWKDEUQTPFDAS-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-1,1,3,3,5-pentamethylisoindole
CID 71605999
benzene;2-phenylethylbenzene
CID 18982764
2,2-dimethyl-1-(2-phenylethyl)piperidin-3-one
CID 117019112
ethane;methane;2-phenylethylbenzene
CID 158652330
2,2-dimethyl-1-(2-phenylethyl)pyrrolidin-3-amine
CID 117016985
1-(2-phenylethyl)spiro[azetidine-3,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]
CID 54482081
hafnium;2-phenylethylbenzene
CID 173109801
1,3-dimethyl-3-[4-(2-phenylethyl)phenyl]indol-2-one
CID 157328720
(4S,5S)-2,2-dimethyl-4,5-bis(2-phenylethyl)-1,3-dioxolane
CID 15482722
(2S,5S)-1-methyl-2,5-bis(2-phenylethyl)pyrrolidine
CID 44598246
2-(1-methylcyclopropyl)ethylbenzene
CID 18548209
4,5-dimethyl-1-oxido-3-(2-phenylethyl)imidazol-1-ium
CID 11148640

Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole?
The IUPAC name of 1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole (CID 69267798) is 1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole?
The canonical SMILES for 1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole is CC1(C)c2ccccc2C(C)(C)N1CCc1ccccc1.
What is the InChIKey of 1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole?
The InChIKey is IFWKDEUQTPFDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N/c1-19(2)17-12-8-9-13-18(17)20(3,4)21(19)15-14-16-10-6-5-7-11-16/h5-13H,14-15H2,1-4H3.
What are the key properties of 1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole?
1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole has a molecular weight of 279.43 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-(2-phenylethyl)isoindole is sourced from PubChem (CID 69267798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).