(2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine

C12H17N — CID 95365998

IUPAC(2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine
SMILESC[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1
InChIInChI=1S/C12H17N/c1-9-8-12(10(2)13-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3/t9-,10+,12+/m1/s1
InChIKeyNAMYMELPHNHNLV-SCVCMEIPSA-N
MW175.28 g/mol
LogP2.54
Rot. Bonds1

About (2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine

(2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine (PubChem CID 95365998) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name(2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine
PubChem CID95365998
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine
SMILESC[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1
InChIInChI=1S/C12H17N/c1-9-8-12(10(2)13-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3/t9-,10+,12+/m1/s1
InChIKeyNAMYMELPHNHNLV-SCVCMEIPSA-N
XLogP2.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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(2S,4R,6S)-2-methyl-6-phenylpiperidin-4-ol
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(5S,6R)-6-methyl-5-phenylpiperidin-2-one
CID 134491126
2-methyl-6-phenylpiperidin-4-ol
CID 5254857
(6-methyl-4-phenylpiperidin-3-yl)methanamine
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2-methyl-3-phenylcyclopentan-1-one
CID 12573116
2-methyl-4-(4-phenylphenyl)azetidine
CID 116821976
4-(2,5-dimethylpyrrolidin-3-yl)-1-ethylpyrazole
CID 103570829
(3R,5S,6R)-6-methyl-5-phenyl-3-(phosphanylamino)piperidin-2-one
CID 129035962
[(1S,2S)-2-methylcyclobutyl]benzene
CID 5314354
ethane;2-phenylcyclopropane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine?
The IUPAC name of (2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine (CID 95365998) is (2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine.
What is the SMILES notation for (2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine?
The canonical SMILES for (2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine is C[C@@H]1C[C@H](c2ccccc2)[C@H](C)N1.
What is the InChIKey of (2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine?
The InChIKey is NAMYMELPHNHNLV-SCVCMEIPSA-N. The full InChI is InChI=1S/C12H17N/c1-9-8-12(10(2)13-9)11-6-4-3-5-7-11/h3-7,9-10,12-13H,8H2,1-2H3/t9-,10+,12+/m1/s1.
What are the key properties of (2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine?
(2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine has a molecular weight of 175.28 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-2,5-dimethyl-3-phenylpyrrolidine is sourced from PubChem (CID 95365998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).