5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole

C12H14FN — CID 146633762

IUPAC5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole
SMILESCc1cc(F)ccc1C1=NC(C)CC1
InChIInChI=1S/C12H14FN/c1-8-7-10(13)4-5-11(8)12-6-3-9(2)14-12/h4-5,7,9H,3,6H2,1-2H3
InChIKeyWHSISKKLNKQRLG-UHFFFAOYSA-N
MW191.25 g/mol
LogP3.11
Rot. Bonds1

About 5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole

5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 146633762) has the molecular formula C12H14FN and a molecular weight of 191.25 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole
PubChem CID146633762
Molecular FormulaC12H14FN
Molecular Weight191.25 g/mol
Exact Mass191.11
IUPAC Name5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole
SMILESCc1cc(F)ccc1C1=NC(C)CC1
InChIInChI=1S/C12H14FN/c1-8-7-10(13)4-5-11(8)12-6-3-9(2)14-12/h4-5,7,9H,3,6H2,1-2H3
InChIKeyWHSISKKLNKQRLG-UHFFFAOYSA-N
XLogP3.11
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

tert-butyl N-[5-(4-fluoro-2-methylphenyl)-5-oxopentan-2-yl]carbamate;deuterioethane;5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole;2,2,2-trifluoroacetaldehyde
CID 165045342
CID 165041504
CID 165041504
ethane;4-fluoro-1-(5-fluoro-2-methylphenyl)-2-methylbenzene
CID 143449254
6-cyclopropyl-2-(4-fluoro-2-methylphenyl)-5-iodopyrimidin-4-amine
CID 81277655
1-(4-bromo-2-methylphenyl)-4-fluoro-2-methylbenzene
CID 164892527
2-cyclopropyl-4-(4-fluoro-2-methylphenyl)-1,3-thiazol-5-amine
CID 62125233
N-[[4-(4-fluoro-2-methylphenyl)-3-methylphenyl]methyl]cyclopropanamine
CID 66481803
4-fluoro-2-methyl-1-(4-phenylcyclohexen-1-yl)benzene
CID 134256168
3-cyclopropyl-5-(4-fluoro-2-methylphenyl)-2-methylimidazol-4-amine
CID 62225965
1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene
CID 177192416
3-(4-fluoro-2-methylphenyl)-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781093
3-(4-fluoro-2-methylphenyl)-1-methylpyrazole
CID 140621702

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole (CID 146633762) is 5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole is Cc1cc(F)ccc1C1=NC(C)CC1.
What is the InChIKey of 5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The InChIKey is WHSISKKLNKQRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN/c1-8-7-10(13)4-5-11(8)12-6-3-9(2)14-12/h4-5,7,9H,3,6H2,1-2H3.
What are the key properties of 5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 191.25 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylphenyl)-2-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 146633762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).