1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole

C15H18FN — CID 114349214

IUPAC1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole
SMILESCc1cc(F)ccc1Cn1cc(C)c(C)c1C
InChIInChI=1S/C15H18FN/c1-10-7-15(16)6-5-14(10)9-17-8-11(2)12(3)13(17)4/h5-8H,9H2,1-4H3
InChIKeyOISMKGRKIRMETN-UHFFFAOYSA-N
MW231.31 g/mol
LogP3.91
Rot. Bonds2

About 1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole

1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole (PubChem CID 114349214) has the molecular formula C15H18FN and a molecular weight of 231.31 g/mol. Its IUPAC name is 1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole.

Molecular Properties

Compound Name1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole
PubChem CID114349214
Molecular FormulaC15H18FN
Molecular Weight231.31 g/mol
Exact Mass231.14
IUPAC Name1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole
SMILESCc1cc(F)ccc1Cn1cc(C)c(C)c1C
InChIInChI=1S/C15H18FN/c1-10-7-15(16)6-5-14(10)9-17-8-11(2)12(3)13(17)4/h5-8H,9H2,1-4H3
InChIKeyOISMKGRKIRMETN-UHFFFAOYSA-N
XLogP3.91
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole 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

N-[[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]methyl]ethanamine
CID 114346652
1-[(4-fluoro-2-methylphenyl)methyl]pyrrole-2-carbonitrile
CID 114652501
1-[1-[(4-fluoro-2-methylphenyl)methyl]pyrrol-2-yl]-N-methylmethanamine
CID 114346651
1-[(4-fluoro-2-methylphenyl)methyl]benzimidazole
CID 113411916
(3R,4S)-1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-3,4-diol
CID 103887198
1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carboxylic acid
CID 114346298
1-[(4-fluoro-2-methylphenyl)methyl]indole-3-carbaldehyde
CID 114346607
ethane;1-ethyl-4-fluoro-2-methylbenzene
CID 143471886
(4-fluoro-2-methylphenyl)methylhydrazine
CID 62134816
1-[(4-fluoro-2-methylphenyl)methyl]indol-7-amine
CID 114935840
[1-[(4-fluoro-2-methylphenyl)methyl]imidazol-4-yl]methanamine
CID 106717979
[1-[(4-fluoro-2-methylphenyl)methyl]indol-4-yl]methanamine
CID 114346645

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole?
The IUPAC name of 1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole (CID 114349214) is 1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole.
What is the SMILES notation for 1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole?
The canonical SMILES for 1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole is Cc1cc(F)ccc1Cn1cc(C)c(C)c1C.
What is the InChIKey of 1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole?
The InChIKey is OISMKGRKIRMETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN/c1-10-7-15(16)6-5-14(10)9-17-8-11(2)12(3)13(17)4/h5-8H,9H2,1-4H3.
What are the key properties of 1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole?
1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole has a molecular weight of 231.31 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-2-methylphenyl)methyl]-2,3,4-trimethylpyrrole is sourced from PubChem (CID 114349214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).