(2-pyrrol-1-ylphenyl)methanamine

C11H12N2 — CID 707327

IUPAC(2-pyrrol-1-ylphenyl)methanamine
SMILESNCc1ccccc1-n1cccc1
InChIInChI=1S/C11H12N2/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-8H,9,12H2
InChIKeyBNDYBXDAGIQWOB-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.94
Rot. Bonds2

About (2-pyrrol-1-ylphenyl)methanamine

(2-pyrrol-1-ylphenyl)methanamine (PubChem CID 707327) has the molecular formula C11H12N2 and a molecular weight of 172.23 g/mol. Its IUPAC name is (2-pyrrol-1-ylphenyl)methanamine.

Molecular Properties

Compound Name(2-pyrrol-1-ylphenyl)methanamine
PubChem CID707327
Molecular FormulaC11H12N2
Molecular Weight172.23 g/mol
Exact Mass172.10
IUPAC Name(2-pyrrol-1-ylphenyl)methanamine
SMILESNCc1ccccc1-n1cccc1
InChIInChI=1S/C11H12N2/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-8H,9,12H2
InChIKeyBNDYBXDAGIQWOB-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

Analyze (2-pyrrol-1-ylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-pyrrol-1-ylphenyl)methanamine?
The IUPAC name of (2-pyrrol-1-ylphenyl)methanamine (CID 707327) is (2-pyrrol-1-ylphenyl)methanamine.
What is the SMILES notation for (2-pyrrol-1-ylphenyl)methanamine?
The canonical SMILES for (2-pyrrol-1-ylphenyl)methanamine is NCc1ccccc1-n1cccc1.
What is the InChIKey of (2-pyrrol-1-ylphenyl)methanamine?
The InChIKey is BNDYBXDAGIQWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2/c12-9-10-5-1-2-6-11(10)13-7-3-4-8-13/h1-8H,9,12H2.
What are the key properties of (2-pyrrol-1-ylphenyl)methanamine?
(2-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 (2-pyrrol-1-ylphenyl)methanamine is sourced from PubChem (CID 707327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).