2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

C14H17FN2 — CID 666453

IUPAC2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESCn1cccc1CNCCc1ccccc1F
InChIInChI=1S/C14H17FN2/c1-17-10-4-6-13(17)11-16-9-8-12-5-2-3-7-14(12)15/h2-7,10,16H,8-9,11H2,1H3
InChIKeyDAHAYQVNPKBZCM-UHFFFAOYSA-N
MW232.30 g/mol
LogP2.50
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine

2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (PubChem CID 666453) has the molecular formula C14H17FN2 and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
PubChem CID666453
Molecular FormulaC14H17FN2
Molecular Weight232.30 g/mol
Exact Mass232.14
IUPAC Name2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine
SMILESCn1cccc1CNCCc1ccccc1F
InChIInChI=1S/C14H17FN2/c1-17-10-4-6-13(17)11-16-9-8-12-5-2-3-7-14(12)15/h2-7,10,16H,8-9,11H2,1H3
InChIKeyDAHAYQVNPKBZCM-UHFFFAOYSA-N
XLogP2.50
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine (CID 666453) is 2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is Cn1cccc1CNCCc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
The InChIKey is DAHAYQVNPKBZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2/c1-17-10-4-6-13(17)11-16-9-8-12-5-2-3-7-14(12)15/h2-7,10,16H,8-9,11H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine?
2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine has a molecular weight of 232.30 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[(1-methylpyrrol-2-yl)methyl]ethanamine is sourced from PubChem (CID 666453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).