(3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol

C13H19NO — CID 125426094

IUPAC(3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol
SMILESCc1ccccc1[C@@]1(O)CN(C)C[C@H]1C
InChIInChI=1S/C13H19NO/c1-10-6-4-5-7-12(10)13(15)9-14(3)8-11(13)2/h4-7,11,15H,8-9H2,1-3H3/t11-,13-/m1/s1
InChIKeyDCXUMIQCJHKEAO-DGCLKSJQSA-N
MW205.30 g/mol
LogP1.76
Rot. Bonds1

About (3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol

(3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol (PubChem CID 125426094) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is (3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol
PubChem CID125426094
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name(3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol
SMILESCc1ccccc1[C@@]1(O)CN(C)C[C@H]1C
InChIInChI=1S/C13H19NO/c1-10-6-4-5-7-12(10)13(15)9-14(3)8-11(13)2/h4-7,11,15H,8-9H2,1-3H3/t11-,13-/m1/s1
InChIKeyDCXUMIQCJHKEAO-DGCLKSJQSA-N
XLogP1.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol (CID 125426094) is (3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol is Cc1ccccc1[C@@]1(O)CN(C)C[C@H]1C.
What is the InChIKey of (3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol?
The InChIKey is DCXUMIQCJHKEAO-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H19NO/c1-10-6-4-5-7-12(10)13(15)9-14(3)8-11(13)2/h4-7,11,15H,8-9H2,1-3H3/t11-,13-/m1/s1.
What are the key properties of (3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol?
(3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol has a molecular weight of 205.30 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1,4-dimethyl-3-(2-methylphenyl)pyrrolidin-3-ol is sourced from PubChem (CID 125426094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).