(2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine

C13H19N — CID 96625235

IUPAC(2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine
SMILESCc1ccc([C@@H]2C[C@H](C)CN2)cc1C
InChIInChI=1S/C13H19N/c1-9-6-13(14-8-9)12-5-4-10(2)11(3)7-12/h4-5,7,9,13-14H,6,8H2,1-3H3/t9-,13-/m0/s1
InChIKeyOYDFDCJCPGYBBW-ZANVPECISA-N
MW189.30 g/mol
LogP2.97
Rot. Bonds1

About (2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine

(2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine (PubChem CID 96625235) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine.

Molecular Properties

Compound Name(2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine
PubChem CID96625235
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine
SMILESCc1ccc([C@@H]2C[C@H](C)CN2)cc1C
InChIInChI=1S/C13H19N/c1-9-6-13(14-8-9)12-5-4-10(2)11(3)7-12/h4-5,7,9,13-14H,6,8H2,1-3H3/t9-,13-/m0/s1
InChIKeyOYDFDCJCPGYBBW-ZANVPECISA-N
XLogP2.97
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine?
The IUPAC name of (2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine (CID 96625235) is (2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine.
What is the SMILES notation for (2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine?
The canonical SMILES for (2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine is Cc1ccc([C@@H]2C[C@H](C)CN2)cc1C.
What is the InChIKey of (2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine?
The InChIKey is OYDFDCJCPGYBBW-ZANVPECISA-N. The full InChI is InChI=1S/C13H19N/c1-9-6-13(14-8-9)12-5-4-10(2)11(3)7-12/h4-5,7,9,13-14H,6,8H2,1-3H3/t9-,13-/m0/s1.
What are the key properties of (2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine?
(2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(3,4-dimethylphenyl)-4-methylpyrrolidine is sourced from PubChem (CID 96625235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).