(1-benzylpyrrol-2-yl)methanamine

C12H14N2 — CID 20888475

IUPAC(1-benzylpyrrol-2-yl)methanamine
SMILESNCc1cccn1Cc1ccccc1
InChIInChI=1S/C12H14N2/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h1-8H,9-10,13H2
InChIKeyJAPGDYZHTAFVMD-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.00
Rot. Bonds3

About (1-benzylpyrrol-2-yl)methanamine

(1-benzylpyrrol-2-yl)methanamine (PubChem CID 20888475) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is (1-benzylpyrrol-2-yl)methanamine.

Molecular Properties

Compound Name(1-benzylpyrrol-2-yl)methanamine
PubChem CID20888475
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name(1-benzylpyrrol-2-yl)methanamine
SMILESNCc1cccn1Cc1ccccc1
InChIInChI=1S/C12H14N2/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h1-8H,9-10,13H2
InChIKeyJAPGDYZHTAFVMD-UHFFFAOYSA-N
XLogP2.00
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpyrrol-2-yl)methanamine?
The IUPAC name of (1-benzylpyrrol-2-yl)methanamine (CID 20888475) is (1-benzylpyrrol-2-yl)methanamine.
What is the SMILES notation for (1-benzylpyrrol-2-yl)methanamine?
The canonical SMILES for (1-benzylpyrrol-2-yl)methanamine is NCc1cccn1Cc1ccccc1.
What is the InChIKey of (1-benzylpyrrol-2-yl)methanamine?
The InChIKey is JAPGDYZHTAFVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h1-8H,9-10,13H2.
What are the key properties of (1-benzylpyrrol-2-yl)methanamine?
(1-benzylpyrrol-2-yl)methanamine has a molecular weight of 186.26 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpyrrol-2-yl)methanamine is sourced from PubChem (CID 20888475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).