[1-(2-phenylethyl)pyrrol-2-yl]methanamine

C13H16N2 — CID 66408175

IUPAC[1-(2-phenylethyl)pyrrol-2-yl]methanamine
SMILESNCc1cccn1CCc1ccccc1
InChIInChI=1S/C13H16N2/c14-11-13-7-4-9-15(13)10-8-12-5-2-1-3-6-12/h1-7,9H,8,10-11,14H2
InChIKeyHGBAATHDAZKJGR-UHFFFAOYSA-N
MW200.29 g/mol
LogP2.19
Rot. Bonds4

About [1-(2-phenylethyl)pyrrol-2-yl]methanamine

[1-(2-phenylethyl)pyrrol-2-yl]methanamine (PubChem CID 66408175) has the molecular formula C13H16N2 and a molecular weight of 200.29 g/mol. Its IUPAC name is [1-(2-phenylethyl)pyrrol-2-yl]methanamine.

Molecular Properties

Compound Name[1-(2-phenylethyl)pyrrol-2-yl]methanamine
PubChem CID66408175
Molecular FormulaC13H16N2
Molecular Weight200.29 g/mol
Exact Mass200.13
IUPAC Name[1-(2-phenylethyl)pyrrol-2-yl]methanamine
SMILESNCc1cccn1CCc1ccccc1
InChIInChI=1S/C13H16N2/c14-11-13-7-4-9-15(13)10-8-12-5-2-1-3-6-12/h1-7,9H,8,10-11,14H2
InChIKeyHGBAATHDAZKJGR-UHFFFAOYSA-N
XLogP2.19
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(2-phenylethyl)pyrrol-2-yl]methanamine?
The IUPAC name of [1-(2-phenylethyl)pyrrol-2-yl]methanamine (CID 66408175) is [1-(2-phenylethyl)pyrrol-2-yl]methanamine.
What is the SMILES notation for [1-(2-phenylethyl)pyrrol-2-yl]methanamine?
The canonical SMILES for [1-(2-phenylethyl)pyrrol-2-yl]methanamine is NCc1cccn1CCc1ccccc1.
What is the InChIKey of [1-(2-phenylethyl)pyrrol-2-yl]methanamine?
The InChIKey is HGBAATHDAZKJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c14-11-13-7-4-9-15(13)10-8-12-5-2-1-3-6-12/h1-7,9H,8,10-11,14H2.
What are the key properties of [1-(2-phenylethyl)pyrrol-2-yl]methanamine?
[1-(2-phenylethyl)pyrrol-2-yl]methanamine has a molecular weight of 200.29 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-phenylethyl)pyrrol-2-yl]methanamine is sourced from PubChem (CID 66408175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).