(2S)-1-(2-methoxy-5-methylphenyl)-N,N-dimethylpyrrolidin-2-amine

C14H22N2O — CID 59886832

IUPAC(2S)-1-(2-methoxy-5-methylphenyl)-N,N-dimethylpyrrolidin-2-amine
SMILESCOc1ccc(C)cc1N1CCC[C@H]1N(C)C
InChIInChI=1S/C14H22N2O/c1-11-7-8-13(17-4)12(10-11)16-9-5-6-14(16)15(2)3/h7-8,10,14H,5-6,9H2,1-4H3/t14-/m0/s1
InChIKeyMFPJIWZLGWAKIA-AWEZNQCLSA-N
MW234.34 g/mol
LogP2.49
Rot. Bonds3

About (2S)-1-(2-methoxy-5-methylphenyl)-N,N-dimethylpyrrolidin-2-amine

(2S)-1-(2-methoxy-5-methylphenyl)-N,N-dimethylpyrrolidin-2-amine (PubChem CID 59886832) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is (2S)-1-(2-methoxy-5-methylphenyl)-N,N-dimethylpyrrolidin-2-amine.

Molecular Properties

Compound Name(2S)-1-(2-methoxy-5-methylphenyl)-N,N-dimethylpyrrolidin-2-amine
PubChem CID59886832
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name(2S)-1-(2-methoxy-5-methylphenyl)-N,N-dimethylpyrrolidin-2-amine
SMILESCOc1ccc(C)cc1N1CCC[C@H]1N(C)C
InChIInChI=1S/C14H22N2O/c1-11-7-8-13(17-4)12(10-11)16-9-5-6-14(16)15(2)3/h7-8,10,14H,5-6,9H2,1-4H3/t14-/m0/s1
InChIKeyMFPJIWZLGWAKIA-AWEZNQCLSA-N
XLogP2.49
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-methoxy-5-methylphenyl)-N,N-dimethylpyrrolidin-2-amine?
The IUPAC name of (2S)-1-(2-methoxy-5-methylphenyl)-N,N-dimethylpyrrolidin-2-amine (CID 59886832) is (2S)-1-(2-methoxy-5-methylphenyl)-N,N-dimethylpyrrolidin-2-amine.
What is the SMILES notation for (2S)-1-(2-methoxy-5-methylphenyl)-N,N-dimethylpyrrolidin-2-amine?
The canonical SMILES for (2S)-1-(2-methoxy-5-methylphenyl)-N,N-dimethylpyrrolidin-2-amine is COc1ccc(C)cc1N1CCC[C@H]1N(C)C.
What is the InChIKey of (2S)-1-(2-methoxy-5-methylphenyl)-N,N-dimethylpyrrolidin-2-amine?
The InChIKey is MFPJIWZLGWAKIA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-7-8-13(17-4)12(10-11)16-9-5-6-14(16)15(2)3/h7-8,10,14H,5-6,9H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-1-(2-methoxy-5-methylphenyl)-N,N-dimethylpyrrolidin-2-amine?
(2S)-1-(2-methoxy-5-methylphenyl)-N,N-dimethylpyrrolidin-2-amine has a molecular weight of 234.34 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-methoxy-5-methylphenyl)-N,N-dimethylpyrrolidin-2-amine is sourced from PubChem (CID 59886832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).