4-methylaniline;2-methylpyrrolidine

C12H20N2 — CID 70528783

IUPAC4-methylaniline;2-methylpyrrolidine
SMILESCC1CCCN1.Cc1ccc(N)cc1
InChIInChI=1S/C7H9N.C5H11N/c1-6-2-4-7(8)5-3-6;1-5-3-2-4-6-5/h2-5H,8H2,1H3;5-6H,2-4H2,1H3
InChIKeyPRYRPARLCAAADO-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.34
Rot. Bonds

About 4-methylaniline;2-methylpyrrolidine

4-methylaniline;2-methylpyrrolidine (PubChem CID 70528783) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 4-methylaniline;2-methylpyrrolidine.

Molecular Properties

Compound Name4-methylaniline;2-methylpyrrolidine
PubChem CID70528783
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name4-methylaniline;2-methylpyrrolidine
SMILESCC1CCCN1.Cc1ccc(N)cc1
InChIInChI=1S/C7H9N.C5H11N/c1-6-2-4-7(8)5-3-6;1-5-3-2-4-6-5/h2-5H,8H2,1H3;5-6H,2-4H2,1H3
InChIKeyPRYRPARLCAAADO-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methylpyrrolidine
CID 13003
2-methylpyrrolidine
CID 142041388
(2S)-2-methylpiperidine;(2S)-2-methylpyrrolidine
CID 164977059
4-methylaniline;trihydrofluoride
CID 70169513
4-methylaniline trifluoride
CID 22627679
(2R)-2-(4-methylphenyl)pyrrolidine
CID 7047871
2-[(4-methylphenyl)methyl]pyrrolidine
CID 3510571
2-methylazetidine;4-methylbenzamide
CID 67940263
CID 173375065
CID 173375065
2-methylpiperidine
CID 7974
(2R)-2-[4-(4-methylphenyl)phenyl]pyrrolidine
CID 66519668
2-methylpyrrolidine;2-methyl-4-pyrrolidin-1-ylaniline
CID 143794435

Frequently Asked Questions

What is the IUPAC name of 4-methylaniline;2-methylpyrrolidine?
The IUPAC name of 4-methylaniline;2-methylpyrrolidine (CID 70528783) is 4-methylaniline;2-methylpyrrolidine.
What is the SMILES notation for 4-methylaniline;2-methylpyrrolidine?
The canonical SMILES for 4-methylaniline;2-methylpyrrolidine is CC1CCCN1.Cc1ccc(N)cc1.
What is the InChIKey of 4-methylaniline;2-methylpyrrolidine?
The InChIKey is PRYRPARLCAAADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C5H11N/c1-6-2-4-7(8)5-3-6;1-5-3-2-4-6-5/h2-5H,8H2,1H3;5-6H,2-4H2,1H3.
What are the key properties of 4-methylaniline;2-methylpyrrolidine?
4-methylaniline;2-methylpyrrolidine has a molecular weight of 192.31 g/mol, XLogP of 2.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylaniline;2-methylpyrrolidine is sourced from PubChem (CID 70528783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).