(3S)-3-(2,6-dimethylphenyl)pyrrolidine

C12H17N — CID 93478436

IUPAC(3S)-3-(2,6-dimethylphenyl)pyrrolidine
SMILESCc1cccc(C)c1[C@@H]1CCNC1
InChIInChI=1S/C12H17N/c1-9-4-3-5-10(2)12(9)11-6-7-13-8-11/h3-5,11,13H,6-8H2,1-2H3/t11-/m1/s1
InChIKeyNKOJVKDTBOVCOZ-LLVKDONJSA-N
MW175.28 g/mol
LogP2.38
Rot. Bonds1

About (3S)-3-(2,6-dimethylphenyl)pyrrolidine

(3S)-3-(2,6-dimethylphenyl)pyrrolidine (PubChem CID 93478436) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (3S)-3-(2,6-dimethylphenyl)pyrrolidine.

Molecular Properties

Compound Name(3S)-3-(2,6-dimethylphenyl)pyrrolidine
PubChem CID93478436
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(3S)-3-(2,6-dimethylphenyl)pyrrolidine
SMILESCc1cccc(C)c1[C@@H]1CCNC1
InChIInChI=1S/C12H17N/c1-9-4-3-5-10(2)12(9)11-6-7-13-8-11/h3-5,11,13H,6-8H2,1-2H3/t11-/m1/s1
InChIKeyNKOJVKDTBOVCOZ-LLVKDONJSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-2-[(3R)-pyrrolidin-3-yl]phenol
CID 131080650
3-(2-bromo-6-methylphenyl)pyrrolidine
CID 117103930
3-(2-chloro-6-methylphenyl)pyrrolidine
CID 117103928
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
3-methyl-2-pyrrolidin-3-ylbenzaldehyde
CID 87618277
3-(2-fluoro-3,6-dimethylphenyl)pyrrolidine
CID 84772859
2,3,5-trimethyl-6-pyrrolidin-3-ylphenol
CID 117116664
3-(4-methylnaphthalen-1-yl)pyrrolidine
CID 70971659
3-amino-2-pyrrolidin-3-ylphenol
CID 117103671
3-(3-tert-butyl-2-methoxy-6-methylphenyl)pyrrolidine
CID 117372004
4-methyl-2-pyrrolidin-3-yl-1,3-benzothiazole
CID 79146802
2-methylsulfanyl-6-[(3S)-pyrrolidin-3-yl]phenol
CID 131145885

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2,6-dimethylphenyl)pyrrolidine?
The IUPAC name of (3S)-3-(2,6-dimethylphenyl)pyrrolidine (CID 93478436) is (3S)-3-(2,6-dimethylphenyl)pyrrolidine.
What is the SMILES notation for (3S)-3-(2,6-dimethylphenyl)pyrrolidine?
The canonical SMILES for (3S)-3-(2,6-dimethylphenyl)pyrrolidine is Cc1cccc(C)c1[C@@H]1CCNC1.
What is the InChIKey of (3S)-3-(2,6-dimethylphenyl)pyrrolidine?
The InChIKey is NKOJVKDTBOVCOZ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17N/c1-9-4-3-5-10(2)12(9)11-6-7-13-8-11/h3-5,11,13H,6-8H2,1-2H3/t11-/m1/s1.
What are the key properties of (3S)-3-(2,6-dimethylphenyl)pyrrolidine?
(3S)-3-(2,6-dimethylphenyl)pyrrolidine has a molecular weight of 175.28 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2,6-dimethylphenyl)pyrrolidine is sourced from PubChem (CID 93478436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).