2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole

C15H19N — CID 63926468

IUPAC2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole
SMILESCc1ccccc1Cn1cc(C)c(C)c1C
InChIInChI=1S/C15H19N/c1-11-7-5-6-8-15(11)10-16-9-12(2)13(3)14(16)4/h5-9H,10H2,1-4H3
InChIKeySJLVYWJVYLKRQV-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.77
Rot. Bonds2

About 2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole

2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole (PubChem CID 63926468) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole.

Molecular Properties

Compound Name2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole
PubChem CID63926468
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole
SMILESCc1ccccc1Cn1cc(C)c(C)c1C
InChIInChI=1S/C15H19N/c1-11-7-5-6-8-15(11)10-16-9-12(2)13(3)14(16)4/h5-9H,10H2,1-4H3
InChIKeySJLVYWJVYLKRQV-UHFFFAOYSA-N
XLogP3.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole 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

8-[(2,3,4-trimethylpyrrol-1-yl)methyl]quinoline
CID 63926675
1-[(2-methylphenyl)methyl]indole-3-carbonitrile
CID 82086172
1,2-dimethyl-3-[(2-methylphenyl)methyl]imidazol-1-ium
CID 785054
3-chloro-4-[(2-methylphenyl)methyl]-1,2,4-triazole
CID 63385384
1-[(5-bromothiophen-2-yl)methyl]-2,3,4-trimethylpyrrole
CID 63925248
2-methyl-1-[(2-methylphenyl)methyl]imidazole-4-carboxylic acid
CID 82288749
3-bromo-1-[(2-methylphenyl)methyl]pyridin-2-one
CID 114761203
4-bromo-1-[(2-methylphenyl)methyl]pyrrole-2-carboxylic acid
CID 114604143
1-[(2-methylphenyl)methyl]azetidine;hydrochloride
CID 166756979
5-chloro-3,4-dimethyl-1-[(2-methylphenyl)methyl]pyrazole
CID 66015296
4-chloro-1-[(2-methylphenyl)methyl]imidazole
CID 167287663
2-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]-1,3-thiazole
CID 63926670

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole?
The IUPAC name of 2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole (CID 63926468) is 2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole.
What is the SMILES notation for 2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole?
The canonical SMILES for 2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole is Cc1ccccc1Cn1cc(C)c(C)c1C.
What is the InChIKey of 2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole?
The InChIKey is SJLVYWJVYLKRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-11-7-5-6-8-15(11)10-16-9-12(2)13(3)14(16)4/h5-9H,10H2,1-4H3.
What are the key properties of 2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole?
2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole has a molecular weight of 213.32 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole is sourced from PubChem (CID 63926468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).