[4-(2,3-dihydropyrrol-1-yl)phenyl]methanamine

C11H14N2 — CID 145189917

IUPAC[4-(2,3-dihydropyrrol-1-yl)phenyl]methanamine
SMILESNCc1ccc(N2C=CCC2)cc1
InChIInChI=1S/C11H14N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h1,3-7H,2,8-9,12H2
InChIKeySEJCADWHZPDDFU-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.87
Rot. Bonds2

About [4-(2,3-dihydropyrrol-1-yl)phenyl]methanamine

[4-(2,3-dihydropyrrol-1-yl)phenyl]methanamine (PubChem CID 145189917) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is [4-(2,3-dihydropyrrol-1-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(2,3-dihydropyrrol-1-yl)phenyl]methanamine
PubChem CID145189917
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name[4-(2,3-dihydropyrrol-1-yl)phenyl]methanamine
SMILESNCc1ccc(N2C=CCC2)cc1
InChIInChI=1S/C11H14N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h1,3-7H,2,8-9,12H2
InChIKeySEJCADWHZPDDFU-UHFFFAOYSA-N
XLogP1.87
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydropyrrol-1-yl)phenyl]methanamine?
The IUPAC name of [4-(2,3-dihydropyrrol-1-yl)phenyl]methanamine (CID 145189917) is [4-(2,3-dihydropyrrol-1-yl)phenyl]methanamine.
What is the SMILES notation for [4-(2,3-dihydropyrrol-1-yl)phenyl]methanamine?
The canonical SMILES for [4-(2,3-dihydropyrrol-1-yl)phenyl]methanamine is NCc1ccc(N2C=CCC2)cc1.
What is the InChIKey of [4-(2,3-dihydropyrrol-1-yl)phenyl]methanamine?
The InChIKey is SEJCADWHZPDDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h1,3-7H,2,8-9,12H2.
What are the key properties of [4-(2,3-dihydropyrrol-1-yl)phenyl]methanamine?
[4-(2,3-dihydropyrrol-1-yl)phenyl]methanamine has a molecular weight of 174.25 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydropyrrol-1-yl)phenyl]methanamine is sourced from PubChem (CID 145189917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).