1,2-dimethyl-4-(3-methylphenyl)pyrrolidine

C13H19N — CID 170012396

IUPAC1,2-dimethyl-4-(3-methylphenyl)pyrrolidine
SMILESCc1cccc(C2CC(C)N(C)C2)c1
InChIInChI=1S/C13H19N/c1-10-5-4-6-12(7-10)13-8-11(2)14(3)9-13/h4-7,11,13H,8-9H2,1-3H3
InChIKeyWIPHVPCYHURNSE-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.80
Rot. Bonds1

About 1,2-dimethyl-4-(3-methylphenyl)pyrrolidine

1,2-dimethyl-4-(3-methylphenyl)pyrrolidine (PubChem CID 170012396) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 1,2-dimethyl-4-(3-methylphenyl)pyrrolidine.

Molecular Properties

Compound Name1,2-dimethyl-4-(3-methylphenyl)pyrrolidine
PubChem CID170012396
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name1,2-dimethyl-4-(3-methylphenyl)pyrrolidine
SMILESCc1cccc(C2CC(C)N(C)C2)c1
InChIInChI=1S/C13H19N/c1-10-5-4-6-12(7-10)13-8-11(2)14(3)9-13/h4-7,11,13H,8-9H2,1-3H3
InChIKeyWIPHVPCYHURNSE-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-4-(3-methylphenyl)pyrrolidine?
The IUPAC name of 1,2-dimethyl-4-(3-methylphenyl)pyrrolidine (CID 170012396) is 1,2-dimethyl-4-(3-methylphenyl)pyrrolidine.
What is the SMILES notation for 1,2-dimethyl-4-(3-methylphenyl)pyrrolidine?
The canonical SMILES for 1,2-dimethyl-4-(3-methylphenyl)pyrrolidine is Cc1cccc(C2CC(C)N(C)C2)c1.
What is the InChIKey of 1,2-dimethyl-4-(3-methylphenyl)pyrrolidine?
The InChIKey is WIPHVPCYHURNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-5-4-6-12(7-10)13-8-11(2)14(3)9-13/h4-7,11,13H,8-9H2,1-3H3.
What are the key properties of 1,2-dimethyl-4-(3-methylphenyl)pyrrolidine?
1,2-dimethyl-4-(3-methylphenyl)pyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-4-(3-methylphenyl)pyrrolidine is sourced from PubChem (CID 170012396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).