N-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine

C13H18N2 — CID 70980197

IUPACN-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1cccc(NC2=NCC(C)C2)c1C
InChIInChI=1S/C13H18N2/c1-9-7-13(14-8-9)15-12-6-4-5-10(2)11(12)3/h4-6,9H,7-8H2,1-3H3,(H,14,15)
InChIKeyNESACJFITBMFIA-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.15
Rot. Bonds1

About N-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine

N-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 70980197) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID70980197
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESCc1cccc(NC2=NCC(C)C2)c1C
InChIInChI=1S/C13H18N2/c1-9-7-13(14-8-9)15-12-6-4-5-10(2)11(12)3/h4-6,9H,7-8H2,1-3H3,(H,14,15)
InChIKeyNESACJFITBMFIA-UHFFFAOYSA-N
XLogP3.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine (CID 70980197) is N-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine is Cc1cccc(NC2=NCC(C)C2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is NESACJFITBMFIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-7-13(14-8-9)15-12-6-4-5-10(2)11(12)3/h4-6,9H,7-8H2,1-3H3,(H,14,15).
What are the key properties of N-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine?
N-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 202.30 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-3-methyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 70980197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).