(2S,4R)-5-benzyl-4-methylpyrrolidin-2-amine

C12H18N2 — CID 54217880

IUPAC(2S,4R)-5-benzyl-4-methylpyrrolidin-2-amine
SMILESC[C@@H]1C[C@@H](N)NC1Cc1ccccc1
InChIInChI=1S/C12H18N2/c1-9-7-12(13)14-11(9)8-10-5-3-2-4-6-10/h2-6,9,11-12,14H,7-8,13H2,1H3/t9-,11?,12+/m1/s1
InChIKeyQALYSMZIOZHHRJ-DGHCKJRHSA-N
MW190.29 g/mol
LogP1.51
Rot. Bonds2

About (2S,4R)-5-benzyl-4-methylpyrrolidin-2-amine

(2S,4R)-5-benzyl-4-methylpyrrolidin-2-amine (PubChem CID 54217880) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2S,4R)-5-benzyl-4-methylpyrrolidin-2-amine.

Molecular Properties

Compound Name(2S,4R)-5-benzyl-4-methylpyrrolidin-2-amine
PubChem CID54217880
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(2S,4R)-5-benzyl-4-methylpyrrolidin-2-amine
SMILESC[C@@H]1C[C@@H](N)NC1Cc1ccccc1
InChIInChI=1S/C12H18N2/c1-9-7-12(13)14-11(9)8-10-5-3-2-4-6-10/h2-6,9,11-12,14H,7-8,13H2,1H3/t9-,11?,12+/m1/s1
InChIKeyQALYSMZIOZHHRJ-DGHCKJRHSA-N
XLogP1.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-5-benzyl-4-methylpyrrolidin-2-amine?
The IUPAC name of (2S,4R)-5-benzyl-4-methylpyrrolidin-2-amine (CID 54217880) is (2S,4R)-5-benzyl-4-methylpyrrolidin-2-amine.
What is the SMILES notation for (2S,4R)-5-benzyl-4-methylpyrrolidin-2-amine?
The canonical SMILES for (2S,4R)-5-benzyl-4-methylpyrrolidin-2-amine is C[C@@H]1C[C@@H](N)NC1Cc1ccccc1.
What is the InChIKey of (2S,4R)-5-benzyl-4-methylpyrrolidin-2-amine?
The InChIKey is QALYSMZIOZHHRJ-DGHCKJRHSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-7-12(13)14-11(9)8-10-5-3-2-4-6-10/h2-6,9,11-12,14H,7-8,13H2,1H3/t9-,11?,12+/m1/s1.
What are the key properties of (2S,4R)-5-benzyl-4-methylpyrrolidin-2-amine?
(2S,4R)-5-benzyl-4-methylpyrrolidin-2-amine has a molecular weight of 190.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-5-benzyl-4-methylpyrrolidin-2-amine is sourced from PubChem (CID 54217880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).