(2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol

C15H23NO — CID 125492661

IUPAC(2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol
SMILESCCCCN1CC[C@](O)(c2ccccc2)[C@H]1C
InChIInChI=1S/C15H23NO/c1-3-4-11-16-12-10-15(17,13(16)2)14-8-6-5-7-9-14/h5-9,13,17H,3-4,10-12H2,1-2H3/t13-,15-/m1/s1
InChIKeyYBTWAIIMKMEGTN-UKRRQHHQSA-N
MW233.36 g/mol
LogP2.77
Rot. Bonds4

About (2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol

(2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol (PubChem CID 125492661) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol.

Molecular Properties

Compound Name(2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol
PubChem CID125492661
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol
SMILESCCCCN1CC[C@](O)(c2ccccc2)[C@H]1C
InChIInChI=1S/C15H23NO/c1-3-4-11-16-12-10-15(17,13(16)2)14-8-6-5-7-9-14/h5-9,13,17H,3-4,10-12H2,1-2H3/t13-,15-/m1/s1
InChIKeyYBTWAIIMKMEGTN-UKRRQHHQSA-N
XLogP2.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[2-(4-nitrophenyl)ethyl]-3-phenylpyrrolidin-3-ol;propanoic acid
CID 71439946
1-butyl-3-phenylpyrrolidin-3-ol
CID 154183596
3-ethyl-1-methyl-4-phenylpiperidin-4-ol
CID 2838203
1-methyl-2,3-diphenylpyrrolidin-3-ol;propanoic acid
CID 21149890
2-pentadecyl-1-phenylcyclobutan-1-ol
CID 66721936
(3R,4R)-3-methoxy-1-methyl-4-phenylpiperidin-4-ol
CID 71056439
1-benzyl-2-methyl-3-(5-methylthiophen-3-yl)pyrrolidin-3-ol
CID 130546235
1,2-dimethyl-3,3-diphenylpyrrolidine
CID 67621621
1-benzyl-3-methyl-4-phenylpiperidin-4-ol
CID 3829784
1-hexyl-4-phenylpiperidine-4-carboxylic acid;hydrochloride
CID 67764311
1-benzyl-2-methyl-3-(1-methylimidazol-4-yl)pyrrolidin-3-ol
CID 130546252
3-[(4R,4aR,8aR)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 133138770

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol?
The IUPAC name of (2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol (CID 125492661) is (2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol.
What is the SMILES notation for (2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol?
The canonical SMILES for (2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol is CCCCN1CC[C@](O)(c2ccccc2)[C@H]1C.
What is the InChIKey of (2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol?
The InChIKey is YBTWAIIMKMEGTN-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-4-11-16-12-10-15(17,13(16)2)14-8-6-5-7-9-14/h5-9,13,17H,3-4,10-12H2,1-2H3/t13-,15-/m1/s1.
What are the key properties of (2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol?
(2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol has a molecular weight of 233.36 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-butyl-2-methyl-3-phenylpyrrolidin-3-ol is sourced from PubChem (CID 125492661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).