4-methyl-2-pyrrolidin-1-ylaniline

C11H16N2 — CID 66998612

IUPAC4-methyl-2-pyrrolidin-1-ylaniline
SMILESCc1ccc(N)c(N2CCCC2)c1
InChIInChI=1S/C11H16N2/c1-9-4-5-10(12)11(8-9)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
InChIKeyZTRAKKWGHXUVTP-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.18
Rot. Bonds1

About 4-methyl-2-pyrrolidin-1-ylaniline

4-methyl-2-pyrrolidin-1-ylaniline (PubChem CID 66998612) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4-methyl-2-pyrrolidin-1-ylaniline.

Molecular Properties

Compound Name4-methyl-2-pyrrolidin-1-ylaniline
PubChem CID66998612
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4-methyl-2-pyrrolidin-1-ylaniline
SMILESCc1ccc(N)c(N2CCCC2)c1
InChIInChI=1S/C11H16N2/c1-9-4-5-10(12)11(8-9)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3
InChIKeyZTRAKKWGHXUVTP-UHFFFAOYSA-N
XLogP2.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-pyrrolidin-1-ylaniline?
The IUPAC name of 4-methyl-2-pyrrolidin-1-ylaniline (CID 66998612) is 4-methyl-2-pyrrolidin-1-ylaniline.
What is the SMILES notation for 4-methyl-2-pyrrolidin-1-ylaniline?
The canonical SMILES for 4-methyl-2-pyrrolidin-1-ylaniline is Cc1ccc(N)c(N2CCCC2)c1.
What is the InChIKey of 4-methyl-2-pyrrolidin-1-ylaniline?
The InChIKey is ZTRAKKWGHXUVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-4-5-10(12)11(8-9)13-6-2-3-7-13/h4-5,8H,2-3,6-7,12H2,1H3.
What are the key properties of 4-methyl-2-pyrrolidin-1-ylaniline?
4-methyl-2-pyrrolidin-1-ylaniline has a molecular weight of 176.26 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-pyrrolidin-1-ylaniline is sourced from PubChem (CID 66998612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).