2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine

C12H13FN2 — CID 82282761

IUPAC2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine
SMILESNCC(c1ccc[nH]1)c1ccccc1F
InChIInChI=1S/C12H13FN2/c13-11-5-2-1-4-9(11)10(8-14)12-6-3-7-15-12/h1-7,10,15H,8,14H2
InChIKeyRCEWDACBCSPGFW-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.24
Rot. Bonds3

About 2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine

2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine (PubChem CID 82282761) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine
PubChem CID82282761
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine
SMILESNCC(c1ccc[nH]1)c1ccccc1F
InChIInChI=1S/C12H13FN2/c13-11-5-2-1-4-9(11)10(8-14)12-6-3-7-15-12/h1-7,10,15H,8,14H2
InChIKeyRCEWDACBCSPGFW-UHFFFAOYSA-N
XLogP2.24
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine (CID 82282761) is 2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine is NCC(c1ccc[nH]1)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine?
The InChIKey is RCEWDACBCSPGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c13-11-5-2-1-4-9(11)10(8-14)12-6-3-7-15-12/h1-7,10,15H,8,14H2.
What are the key properties of 2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine?
2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine has a molecular weight of 204.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-(1H-pyrrol-2-yl)ethanamine is sourced from PubChem (CID 82282761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).