2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine

C21H30N2 — CID 67003274

IUPAC2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine
SMILESCC1CCCN1.c1ccc(CCNCCc2ccccc2)cc1
InChIInChI=1S/C16H19N.C5H11N/c1-3-7-15(8-4-1)11-13-17-14-12-16-9-5-2-6-10-16;1-5-3-2-4-6-5/h1-10,17H,11-14H2;5-6H,2-4H2,1H3
InChIKeyDASPWXUSACCWLY-UHFFFAOYSA-N
MW310.49 g/mol
LogP3.82
Rot. Bonds6

About 2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine

2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine (PubChem CID 67003274) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is 2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine.

Molecular Properties

Compound Name2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine
PubChem CID67003274
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC Name2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine
SMILESCC1CCCN1.c1ccc(CCNCCc2ccccc2)cc1
InChIInChI=1S/C16H19N.C5H11N/c1-3-7-15(8-4-1)11-13-17-14-12-16-9-5-2-6-10-16;1-5-3-2-4-6-5/h1-10,17H,11-14H2;5-6H,2-4H2,1H3
InChIKeyDASPWXUSACCWLY-UHFFFAOYSA-N
XLogP3.82
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.49
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine?
The IUPAC name of 2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine (CID 67003274) is 2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine.
What is the SMILES notation for 2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine?
The canonical SMILES for 2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine is CC1CCCN1.c1ccc(CCNCCc2ccccc2)cc1.
What is the InChIKey of 2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine?
The InChIKey is DASPWXUSACCWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N.C5H11N/c1-3-7-15(8-4-1)11-13-17-14-12-16-9-5-2-6-10-16;1-5-3-2-4-6-5/h1-10,17H,11-14H2;5-6H,2-4H2,1H3.
What are the key properties of 2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine?
2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine has a molecular weight of 310.49 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrrolidine;2-phenyl-N-(2-phenylethyl)ethanamine is sourced from PubChem (CID 67003274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).