4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline

C14H18N2 — CID 762122

IUPAC4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline
SMILESCc1ccc(C)n1-c1ccc(N(C)C)cc1
InChIInChI=1S/C14H18N2/c1-11-5-6-12(2)16(11)14-9-7-13(8-10-14)15(3)4/h5-10H,1-4H3
InChIKeyXGLXLUSJJLDMLH-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.16
Rot. Bonds2

About 4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline

4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline (PubChem CID 762122) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline
PubChem CID762122
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline
SMILESCc1ccc(C)n1-c1ccc(N(C)C)cc1
InChIInChI=1S/C14H18N2/c1-11-5-6-12(2)16(11)14-9-7-13(8-10-14)15(3)4/h5-10H,1-4H3
InChIKeyXGLXLUSJJLDMLH-UHFFFAOYSA-N
XLogP3.16
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline?
The IUPAC name of 4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline (CID 762122) is 4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline?
The canonical SMILES for 4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline is Cc1ccc(C)n1-c1ccc(N(C)C)cc1.
What is the InChIKey of 4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline?
The InChIKey is XGLXLUSJJLDMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11-5-6-12(2)16(11)14-9-7-13(8-10-14)15(3)4/h5-10H,1-4H3.
What are the key properties of 4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline?
4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline has a molecular weight of 214.31 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline is sourced from PubChem (CID 762122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).