3-(1-phenylethyl)-1-propan-2-ylpyrrole

C15H19N — CID 142003945

IUPAC3-(1-phenylethyl)-1-propan-2-ylpyrrole
SMILESCC(c1ccccc1)c1ccn(C(C)C)c1
InChIInChI=1S/C15H19N/c1-12(2)16-10-9-15(11-16)13(3)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKeyMCHMZDVWYFCOKG-UHFFFAOYSA-N
MW213.32 g/mol
LogP4.22
Rot. Bonds3

About 3-(1-phenylethyl)-1-propan-2-ylpyrrole

3-(1-phenylethyl)-1-propan-2-ylpyrrole (PubChem CID 142003945) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-(1-phenylethyl)-1-propan-2-ylpyrrole.

Molecular Properties

Compound Name3-(1-phenylethyl)-1-propan-2-ylpyrrole
PubChem CID142003945
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name3-(1-phenylethyl)-1-propan-2-ylpyrrole
SMILESCC(c1ccccc1)c1ccn(C(C)C)c1
InChIInChI=1S/C15H19N/c1-12(2)16-10-9-15(11-16)13(3)14-7-5-4-6-8-14/h4-13H,1-3H3
InChIKeyMCHMZDVWYFCOKG-UHFFFAOYSA-N
XLogP4.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethyl)-1-propan-2-ylpyrrole?
The IUPAC name of 3-(1-phenylethyl)-1-propan-2-ylpyrrole (CID 142003945) is 3-(1-phenylethyl)-1-propan-2-ylpyrrole.
What is the SMILES notation for 3-(1-phenylethyl)-1-propan-2-ylpyrrole?
The canonical SMILES for 3-(1-phenylethyl)-1-propan-2-ylpyrrole is CC(c1ccccc1)c1ccn(C(C)C)c1.
What is the InChIKey of 3-(1-phenylethyl)-1-propan-2-ylpyrrole?
The InChIKey is MCHMZDVWYFCOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-12(2)16-10-9-15(11-16)13(3)14-7-5-4-6-8-14/h4-13H,1-3H3.
What are the key properties of 3-(1-phenylethyl)-1-propan-2-ylpyrrole?
3-(1-phenylethyl)-1-propan-2-ylpyrrole has a molecular weight of 213.32 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethyl)-1-propan-2-ylpyrrole is sourced from PubChem (CID 142003945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).