(1R)-3-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol

C21H27NO — CID 124735982

IUPAC(1R)-3-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol
SMILESCc1ccccc1[C@H]1C[C@@H](C)N(CC[C@@H](O)c2ccccc2)C1
InChIInChI=1S/C21H27NO/c1-16-8-6-7-11-20(16)19-14-17(2)22(15-19)13-12-21(23)18-9-4-3-5-10-18/h3-11,17,19,21,23H,12-15H2,1-2H3/t17-,19+,21-/m1/s1
InChIKeyOGKSXUYCCKUANP-SLYNCCJLSA-N
MW309.45 g/mol
LogP4.30
Rot. Bonds5

About (1R)-3-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol

(1R)-3-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol (PubChem CID 124735982) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is (1R)-3-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-3-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol
PubChem CID124735982
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name(1R)-3-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol
SMILESCc1ccccc1[C@H]1C[C@@H](C)N(CC[C@@H](O)c2ccccc2)C1
InChIInChI=1S/C21H27NO/c1-16-8-6-7-11-20(16)19-14-17(2)22(15-19)13-12-21(23)18-9-4-3-5-10-18/h3-11,17,19,21,23H,12-15H2,1-2H3/t17-,19+,21-/m1/s1
InChIKeyOGKSXUYCCKUANP-SLYNCCJLSA-N
XLogP4.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol?
The IUPAC name of (1R)-3-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol (CID 124735982) is (1R)-3-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R)-3-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol?
The canonical SMILES for (1R)-3-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol is Cc1ccccc1[C@H]1C[C@@H](C)N(CC[C@@H](O)c2ccccc2)C1.
What is the InChIKey of (1R)-3-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol?
The InChIKey is OGKSXUYCCKUANP-SLYNCCJLSA-N. The full InChI is InChI=1S/C21H27NO/c1-16-8-6-7-11-20(16)19-14-17(2)22(15-19)13-12-21(23)18-9-4-3-5-10-18/h3-11,17,19,21,23H,12-15H2,1-2H3/t17-,19+,21-/m1/s1.
What are the key properties of (1R)-3-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol?
(1R)-3-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol has a molecular weight of 309.45 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[(2R,4R)-2-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]-1-phenylpropan-1-ol is sourced from PubChem (CID 124735982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).