[4-(1-pyrrol-1-ylethyl)phenyl]methanamine

C13H16N2 — CID 61032949

IUPAC[4-(1-pyrrol-1-ylethyl)phenyl]methanamine
SMILESCC(c1ccc(CN)cc1)n1cccc1
InChIInChI=1S/C13H16N2/c1-11(15-8-2-3-9-15)13-6-4-12(10-14)5-7-13/h2-9,11H,10,14H2,1H3
InChIKeyCJGKZADMBIYFRY-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.56
Rot. Bonds3

About [4-(1-pyrrol-1-ylethyl)phenyl]methanamine

[4-(1-pyrrol-1-ylethyl)phenyl]methanamine (PubChem CID 61032949) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is [4-(1-pyrrol-1-ylethyl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1-pyrrol-1-ylethyl)phenyl]methanamine
PubChem CID61032949
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name[4-(1-pyrrol-1-ylethyl)phenyl]methanamine
SMILESCC(c1ccc(CN)cc1)n1cccc1
InChIInChI=1S/C13H16N2/c1-11(15-8-2-3-9-15)13-6-4-12(10-14)5-7-13/h2-9,11H,10,14H2,1H3
InChIKeyCJGKZADMBIYFRY-UHFFFAOYSA-N
XLogP2.56
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(1-pyrrol-1-ylethyl)phenyl]methanamine?
The IUPAC name of [4-(1-pyrrol-1-ylethyl)phenyl]methanamine (CID 61032949) is [4-(1-pyrrol-1-ylethyl)phenyl]methanamine.
What is the SMILES notation for [4-(1-pyrrol-1-ylethyl)phenyl]methanamine?
The canonical SMILES for [4-(1-pyrrol-1-ylethyl)phenyl]methanamine is CC(c1ccc(CN)cc1)n1cccc1.
What is the InChIKey of [4-(1-pyrrol-1-ylethyl)phenyl]methanamine?
The InChIKey is CJGKZADMBIYFRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-11(15-8-2-3-9-15)13-6-4-12(10-14)5-7-13/h2-9,11H,10,14H2,1H3.
What are the key properties of [4-(1-pyrrol-1-ylethyl)phenyl]methanamine?
[4-(1-pyrrol-1-ylethyl)phenyl]methanamine has a molecular weight of 200.28 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-pyrrol-1-ylethyl)phenyl]methanamine is sourced from PubChem (CID 61032949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).