N-methyl-1-phenylpyrrolidin-3-amine

C11H16N2 — CID 19862182

IUPACN-methyl-1-phenylpyrrolidin-3-amine
SMILESCNC1CCN(c2ccccc2)C1
InChIInChI=1S/C11H16N2/c1-12-10-7-8-13(9-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyXGVQVOOFPKHRFD-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.48
Rot. Bonds2

About N-methyl-1-phenylpyrrolidin-3-amine

N-methyl-1-phenylpyrrolidin-3-amine (PubChem CID 19862182) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is N-methyl-1-phenylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-phenylpyrrolidin-3-amine
PubChem CID19862182
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC NameN-methyl-1-phenylpyrrolidin-3-amine
SMILESCNC1CCN(c2ccccc2)C1
InChIInChI=1S/C11H16N2/c1-12-10-7-8-13(9-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyXGVQVOOFPKHRFD-UHFFFAOYSA-N
XLogP1.48
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenylpyrrolidin-3-amine?
The IUPAC name of N-methyl-1-phenylpyrrolidin-3-amine (CID 19862182) is N-methyl-1-phenylpyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-phenylpyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-phenylpyrrolidin-3-amine is CNC1CCN(c2ccccc2)C1.
What is the InChIKey of N-methyl-1-phenylpyrrolidin-3-amine?
The InChIKey is XGVQVOOFPKHRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-12-10-7-8-13(9-10)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3.
What are the key properties of N-methyl-1-phenylpyrrolidin-3-amine?
N-methyl-1-phenylpyrrolidin-3-amine has a molecular weight of 176.26 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenylpyrrolidin-3-amine is sourced from PubChem (CID 19862182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).