1-(4-phenyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine

C20H20N2 — CID 57181949

IUPAC1-(4-phenyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine
SMILESCC(N)Cn1ccc2c1-c1ccccc1C2c1ccccc1
InChIInChI=1S/C20H20N2/c1-14(21)13-22-12-11-18-19(15-7-3-2-4-8-15)16-9-5-6-10-17(16)20(18)22/h2-12,14,19H,13,21H2,1H3
InChIKeyKHJCBYGPPXWCIG-UHFFFAOYSA-N
MW288.39 g/mol
LogP4.00
Rot. Bonds3

About 1-(4-phenyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine

1-(4-phenyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine (PubChem CID 57181949) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-(4-phenyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-phenyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine
PubChem CID57181949
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name1-(4-phenyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine
SMILESCC(N)Cn1ccc2c1-c1ccccc1C2c1ccccc1
InChIInChI=1S/C20H20N2/c1-14(21)13-22-12-11-18-19(15-7-3-2-4-8-15)16-9-5-6-10-17(16)20(18)22/h2-12,14,19H,13,21H2,1H3
InChIKeyKHJCBYGPPXWCIG-UHFFFAOYSA-N
XLogP4.00
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine?
The IUPAC name of 1-(4-phenyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine (CID 57181949) is 1-(4-phenyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine.
What is the SMILES notation for 1-(4-phenyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine?
The canonical SMILES for 1-(4-phenyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine is CC(N)Cn1ccc2c1-c1ccccc1C2c1ccccc1.
What is the InChIKey of 1-(4-phenyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine?
The InChIKey is KHJCBYGPPXWCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-14(21)13-22-12-11-18-19(15-7-3-2-4-8-15)16-9-5-6-10-17(16)20(18)22/h2-12,14,19H,13,21H2,1H3.
What are the key properties of 1-(4-phenyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine?
1-(4-phenyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine has a molecular weight of 288.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-4H-indeno[1,2-b]pyrrol-1-yl)propan-2-amine is sourced from PubChem (CID 57181949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).