(3-pyrrol-1-ylphenyl)methanamine

C11H12N2 — CID 2776533

IUPAC(3-pyrrol-1-ylphenyl)methanamine
SMILESNCc1cccc(-n2cccc2)c1
InChIInChI=1S/C11H12N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h1-8H,9,12H2
InChIKeyXLBYUDUEHVKUKQ-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.94
Rot. Bonds2

About (3-pyrrol-1-ylphenyl)methanamine

(3-pyrrol-1-ylphenyl)methanamine (PubChem CID 2776533) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (3-pyrrol-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(3-pyrrol-1-ylphenyl)methanamine
PubChem CID2776533
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name(3-pyrrol-1-ylphenyl)methanamine
SMILESNCc1cccc(-n2cccc2)c1
InChIInChI=1S/C11H12N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h1-8H,9,12H2
InChIKeyXLBYUDUEHVKUKQ-UHFFFAOYSA-N
XLogP1.94
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-pyrrol-1-ylphenyl)methanamine?
The IUPAC name of (3-pyrrol-1-ylphenyl)methanamine (CID 2776533) is (3-pyrrol-1-ylphenyl)methanamine.
What is the SMILES notation for (3-pyrrol-1-ylphenyl)methanamine?
The canonical SMILES for (3-pyrrol-1-ylphenyl)methanamine is NCc1cccc(-n2cccc2)c1.
What is the InChIKey of (3-pyrrol-1-ylphenyl)methanamine?
The InChIKey is XLBYUDUEHVKUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c12-9-10-4-3-5-11(8-10)13-6-1-2-7-13/h1-8H,9,12H2.
What are the key properties of (3-pyrrol-1-ylphenyl)methanamine?
(3-pyrrol-1-ylphenyl)methanamine has a molecular weight of 172.23 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyrrol-1-ylphenyl)methanamine is sourced from PubChem (CID 2776533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).