(2R)-2-[(2-methylphenyl)methyl]pyrrolidine

C12H17N — CID 7047857

IUPAC(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
SMILESCc1ccccc1C[C@H]1CCCN1
InChIInChI=1S/C12H17N/c1-10-5-2-3-6-11(10)9-12-7-4-8-13-12/h2-3,5-6,12-13H,4,7-9H2,1H3/t12-/m1/s1
InChIKeyAEVCYCAGTSOXAE-GFCCVEGCSA-N
MW175.28 g/mol
LogP2.29
Rot. Bonds2

About (2R)-2-[(2-methylphenyl)methyl]pyrrolidine

(2R)-2-[(2-methylphenyl)methyl]pyrrolidine (PubChem CID 7047857) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is (2R)-2-[(2-methylphenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
PubChem CID7047857
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
SMILESCc1ccccc1C[C@H]1CCCN1
InChIInChI=1S/C12H17N/c1-10-5-2-3-6-11(10)9-12-7-4-8-13-12/h2-3,5-6,12-13H,4,7-9H2,1H3/t12-/m1/s1
InChIKeyAEVCYCAGTSOXAE-GFCCVEGCSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-[(2-methylphenyl)methylsulfanylmethyl]pyrrolidine
CID 62769476
2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine
CID 112741759
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983
2-[(2,3-difluoro-4-methylphenyl)methyl]pyrrolidine
CID 117301581
1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol
CID 117118195
2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 117327912
1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117118193
2-(piperidin-2-ylmethyl)aniline
CID 84662844
3-methyl-6-(pyrrolidin-2-ylmethyl)benzene-1,2-diol
CID 117296067
2-[[2-(1-methylazetidin-3-yl)phenyl]methyl]pyrrolidine
CID 117333037
2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260437

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methylphenyl)methyl]pyrrolidine?
The IUPAC name of (2R)-2-[(2-methylphenyl)methyl]pyrrolidine (CID 7047857) is (2R)-2-[(2-methylphenyl)methyl]pyrrolidine.
What is the SMILES notation for (2R)-2-[(2-methylphenyl)methyl]pyrrolidine?
The canonical SMILES for (2R)-2-[(2-methylphenyl)methyl]pyrrolidine is Cc1ccccc1C[C@H]1CCCN1.
What is the InChIKey of (2R)-2-[(2-methylphenyl)methyl]pyrrolidine?
The InChIKey is AEVCYCAGTSOXAE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H17N/c1-10-5-2-3-6-11(10)9-12-7-4-8-13-12/h2-3,5-6,12-13H,4,7-9H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-2-[(2-methylphenyl)methyl]pyrrolidine?
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine has a molecular weight of 175.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methylphenyl)methyl]pyrrolidine is sourced from PubChem (CID 7047857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).