(2R,3R)-1-benzyl-2-methylpyrrolidin-3-amine

C12H18N2 — CID 11127085

IUPAC(2R,3R)-1-benzyl-2-methylpyrrolidin-3-amine
SMILESC[C@@H]1[C@H](N)CCN1Cc1ccccc1
InChIInChI=1S/C12H18N2/c1-10-12(13)7-8-14(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,13H2,1H3/t10-,12-/m1/s1
InChIKeySFEGZLNDKUGHQJ-ZYHUDNBSSA-N
MW190.29 g/mol
LogP1.61
Rot. Bonds2

About (2R,3R)-1-benzyl-2-methylpyrrolidin-3-amine

(2R,3R)-1-benzyl-2-methylpyrrolidin-3-amine (PubChem CID 11127085) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (2R,3R)-1-benzyl-2-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name(2R,3R)-1-benzyl-2-methylpyrrolidin-3-amine
PubChem CID11127085
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(2R,3R)-1-benzyl-2-methylpyrrolidin-3-amine
SMILESC[C@@H]1[C@H](N)CCN1Cc1ccccc1
InChIInChI=1S/C12H18N2/c1-10-12(13)7-8-14(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,13H2,1H3/t10-,12-/m1/s1
InChIKeySFEGZLNDKUGHQJ-ZYHUDNBSSA-N
XLogP1.61
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-benzyl-2-methylpyrrolidin-3-amine?
The IUPAC name of (2R,3R)-1-benzyl-2-methylpyrrolidin-3-amine (CID 11127085) is (2R,3R)-1-benzyl-2-methylpyrrolidin-3-amine.
What is the SMILES notation for (2R,3R)-1-benzyl-2-methylpyrrolidin-3-amine?
The canonical SMILES for (2R,3R)-1-benzyl-2-methylpyrrolidin-3-amine is C[C@@H]1[C@H](N)CCN1Cc1ccccc1.
What is the InChIKey of (2R,3R)-1-benzyl-2-methylpyrrolidin-3-amine?
The InChIKey is SFEGZLNDKUGHQJ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C12H18N2/c1-10-12(13)7-8-14(10)9-11-5-3-2-4-6-11/h2-6,10,12H,7-9,13H2,1H3/t10-,12-/m1/s1.
What are the key properties of (2R,3R)-1-benzyl-2-methylpyrrolidin-3-amine?
(2R,3R)-1-benzyl-2-methylpyrrolidin-3-amine has a molecular weight of 190.29 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-benzyl-2-methylpyrrolidin-3-amine is sourced from PubChem (CID 11127085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).