[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride

C₂₀H₂₇ClN₂O — CID 120743423

About [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride

[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride (PubChem CID 120743423) has the molecular formula C₂₀H₂₇ClN₂O and a molecular weight of 346.90 g/mol. Its IUPAC name is [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride.

Molecular Properties

• Compound Name: [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
• PubChem CID: 120743423
• Molecular Formula: C₂₀H₂₇ClN₂O
• Molecular Weight: 346.90 g/mol
• Exact Mass: 346.18
• IUPAC Name: [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride
• SMILES: Cl.NC[C@@H]1CN(C(=O)C2C3C4CCC(C4)C23)C[C@H]1c1ccccc1
• InChI: InChI=1S/C20H26N2O.ClH/c21-9-15-10-22(11-16(15)12-4-2-1-3-5-12)20(23)19-17-13-6-7-14(8-13)18(17)19;/h1-5,13-19H,6-11,21H2;1H/t13?,14?,15-,16+,17?,18?,19?;/m1./s1
• InChIKey: PUCHJKBAJFPIMC-QEAYNJMHSA-N
• XLogP: 2.90
• TPSA: 46.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.90
LogP ≤ 5	2.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride?

The IUPAC name of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride (CID 120743423) is [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride.

What is the SMILES notation for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride?

The canonical SMILES for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride is Cl.NC[C@@H]1CN(C(=O)C2C3C4CCC(C4)C23)C[C@H]1c1ccccc1.

What is the InChIKey of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride?

The InChIKey is PUCHJKBAJFPIMC-QEAYNJMHSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c21-9-15-10-22(11-16(15)12-4-2-1-3-5-12)20(23)19-17-13-6-7-14(8-13)18(17)19;/h1-5,13-19H,6-11,21H2;1H/t13?,14?,15-,16+,17?,18?,19?;/m1./s1.

What are the key properties of [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride?

[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(3-tricyclo[3.2.1.02,4]octanyl)methanone;hydrochloride is sourced from PubChem (CID 120743423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 120743423 — identifiers, structure, computed properties (public domain)

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