3-phenyl-1-propan-2-ylpyrrol-2-amine

C13H16N2 — CID 117222573

IUPAC3-phenyl-1-propan-2-ylpyrrol-2-amine
SMILESCC(C)n1ccc(-c2ccccc2)c1N
InChIInChI=1S/C13H16N2/c1-10(2)15-9-8-12(13(15)14)11-6-4-3-5-7-11/h3-10H,14H2,1-2H3
InChIKeyCUCLKZZTCLRVNV-UHFFFAOYSA-N
MW200.28 g/mol
LogP3.32
Rot. Bonds2

About 3-phenyl-1-propan-2-ylpyrrol-2-amine

3-phenyl-1-propan-2-ylpyrrol-2-amine (PubChem CID 117222573) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-phenyl-1-propan-2-ylpyrrol-2-amine.

Molecular Properties

Compound Name3-phenyl-1-propan-2-ylpyrrol-2-amine
PubChem CID117222573
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name3-phenyl-1-propan-2-ylpyrrol-2-amine
SMILESCC(C)n1ccc(-c2ccccc2)c1N
InChIInChI=1S/C13H16N2/c1-10(2)15-9-8-12(13(15)14)11-6-4-3-5-7-11/h3-10H,14H2,1-2H3
InChIKeyCUCLKZZTCLRVNV-UHFFFAOYSA-N
XLogP3.32
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-propan-2-ylpyrrol-2-amine?
The IUPAC name of 3-phenyl-1-propan-2-ylpyrrol-2-amine (CID 117222573) is 3-phenyl-1-propan-2-ylpyrrol-2-amine.
What is the SMILES notation for 3-phenyl-1-propan-2-ylpyrrol-2-amine?
The canonical SMILES for 3-phenyl-1-propan-2-ylpyrrol-2-amine is CC(C)n1ccc(-c2ccccc2)c1N.
What is the InChIKey of 3-phenyl-1-propan-2-ylpyrrol-2-amine?
The InChIKey is CUCLKZZTCLRVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10(2)15-9-8-12(13(15)14)11-6-4-3-5-7-11/h3-10H,14H2,1-2H3.
What are the key properties of 3-phenyl-1-propan-2-ylpyrrol-2-amine?
3-phenyl-1-propan-2-ylpyrrol-2-amine has a molecular weight of 200.28 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-propan-2-ylpyrrol-2-amine is sourced from PubChem (CID 117222573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).