[(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine

C11H16N2 — CID 57365027

IUPAC[(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@H](c2ccccc2)CN1
InChIInChI=1S/C11H16N2/c12-7-11-6-10(8-13-11)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8,12H2/t10-,11-/m0/s1
InChIKeyGZBRSIAGVAWGNO-QWRGUYRKSA-N
MW176.26 g/mol
LogP1.09
Rot. Bonds2

About [(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine

[(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine (PubChem CID 57365027) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is [(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine
PubChem CID57365027
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name[(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine
SMILESNC[C@@H]1C[C@H](c2ccccc2)CN1
InChIInChI=1S/C11H16N2/c12-7-11-6-10(8-13-11)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8,12H2/t10-,11-/m0/s1
InChIKeyGZBRSIAGVAWGNO-QWRGUYRKSA-N
XLogP1.09
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-phenyl-1-[[(2S,4R)-4-phenylpyrrolidin-2-yl]methyl]pyrrolidine
CID 67175624
[(1S,3R)-3-phenylcyclopentyl]methanamine
CID 95435355
[(1R,3S)-3-phenylcyclopentyl]methanamine
CID 95435358
ethane;2-methyl-4-phenylpyrrolidine
CID 176952755
(2S)-4-phenylpyrrolidine-2-carboxamide
CID 171062215
(2R,4S)-4-phenylpyrrolidine-2-carboxylic acid
CID 56845333
ethyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 153349946
[2-[(1S,2R)-2-phenylcyclopropyl]piperidin-4-yl]methanamine
CID 122440726
2-(aminomethyl)-6-phenyl-2,3,4a,5,6,7,8,8a-octahydro-1H-quinolin-4-one
CID 162533512
(6-methyl-4-phenylpiperidin-3-yl)methanamine
CID 82609453
(2R,5S)-2-methyl-5-phenylpiperidine
CID 95374662
methyl (2S,4S)-4-phenylpyrrolidine-2-carboxylate
CID 92978343

Frequently Asked Questions

What is the IUPAC name of [(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine?
The IUPAC name of [(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine (CID 57365027) is [(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine.
What is the SMILES notation for [(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine?
The canonical SMILES for [(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine is NC[C@@H]1C[C@H](c2ccccc2)CN1.
What is the InChIKey of [(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine?
The InChIKey is GZBRSIAGVAWGNO-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H16N2/c12-7-11-6-10(8-13-11)9-4-2-1-3-5-9/h1-5,10-11,13H,6-8,12H2/t10-,11-/m0/s1.
What are the key properties of [(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine?
[(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine has a molecular weight of 176.26 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4R)-4-phenylpyrrolidin-2-yl]methanamine is sourced from PubChem (CID 57365027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).