2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane

C17H25N — CID 145258701

IUPAC2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane
SMILESCC.Cc1ccccc1-c1ccc(C(C)(C)C)[nH]1
InChIInChI=1S/C15H19N.C2H6/c1-11-7-5-6-8-12(11)13-9-10-14(16-13)15(2,3)4;1-2/h5-10,16H,1-4H3;1-2H3
InChIKeyHOTUUYYHXJZYNQ-UHFFFAOYSA-N
MW243.39 g/mol
LogP5.31
Rot. Bonds1

About 2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane

2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane (PubChem CID 145258701) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane.

Molecular Properties

Compound Name2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane
PubChem CID145258701
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane
SMILESCC.Cc1ccccc1-c1ccc(C(C)(C)C)[nH]1
InChIInChI=1S/C15H19N.C2H6/c1-11-7-5-6-8-12(11)13-9-10-14(16-13)15(2,3)4;1-2/h5-10,16H,1-4H3;1-2H3
InChIKeyHOTUUYYHXJZYNQ-UHFFFAOYSA-N
XLogP5.31
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

5-tert-butyl-3-(2-methylphenyl)-1H-pyrazole
CID 118121632
5-tert-butyl-2-(2-methylphenyl)-1H-indole
CID 131887127
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659
6-(2-methylphenyl)-1H-pyrimidine-2-thione
CID 106514471
2,7-bis(2-methylphenyl)-1,6-dihydropyrido[2,3-g]quinoline-4,9-dione
CID 139781798
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
2-chloro-5-(2-methylphenyl)-1H-imidazole
CID 105446616
methyl 2-chloro-5-(2-methylphenyl)-1H-pyrrole-3-carboxylate
CID 66924907
N-methyl-5-(2-methylphenyl)-1H-pyrazol-3-amine
CID 54595204
4-amino-2-(2-methylphenyl)-1H-indol-7-ol
CID 82388778
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
2-(4-tert-butyl-2-methylphenyl)-8-methyl-1H-quinolin-4-one
CID 169256334

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane?
The IUPAC name of 2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane (CID 145258701) is 2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane.
What is the SMILES notation for 2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane?
The canonical SMILES for 2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane is CC.Cc1ccccc1-c1ccc(C(C)(C)C)[nH]1.
What is the InChIKey of 2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane?
The InChIKey is HOTUUYYHXJZYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N.C2H6/c1-11-7-5-6-8-12(11)13-9-10-14(16-13)15(2,3)4;1-2/h5-10,16H,1-4H3;1-2H3.
What are the key properties of 2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane?
2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane has a molecular weight of 243.39 g/mol, XLogP of 5.31, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-methylphenyl)-1H-pyrrole;ethane is sourced from PubChem (CID 145258701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).