2-(4-bromo-2-fluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine

C14H20BrFN2 — CID 54882818

IUPAC2-(4-bromo-2-fluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCCN1C(CN)c1ccc(Br)cc1F
InChIInChI=1S/C14H20BrFN2/c1-2-11-4-3-7-18(11)14(9-17)12-6-5-10(15)8-13(12)16/h5-6,8,11,14H,2-4,7,9,17H2,1H3
InChIKeyBRMHHMBYSVKVTA-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.46
Rot. Bonds4

About 2-(4-bromo-2-fluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine

2-(4-bromo-2-fluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine (PubChem CID 54882818) has the molecular formula C14H20BrFN2 and a molecular weight of 315.23 g/mol. Its IUPAC name is 2-(4-bromo-2-fluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine.

Molecular Properties

Compound Name2-(4-bromo-2-fluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
PubChem CID54882818
Molecular FormulaC14H20BrFN2
Molecular Weight315.23 g/mol
Exact Mass314.08
IUPAC Name2-(4-bromo-2-fluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
SMILESCCC1CCCN1C(CN)c1ccc(Br)cc1F
InChIInChI=1S/C14H20BrFN2/c1-2-11-4-3-7-18(11)14(9-17)12-6-5-10(15)8-13(12)16/h5-6,8,11,14H,2-4,7,9,17H2,1H3
InChIKeyBRMHHMBYSVKVTA-UHFFFAOYSA-N
XLogP3.46
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The IUPAC name of 2-(4-bromo-2-fluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine (CID 54882818) is 2-(4-bromo-2-fluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine.
What is the SMILES notation for 2-(4-bromo-2-fluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The canonical SMILES for 2-(4-bromo-2-fluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine is CCC1CCCN1C(CN)c1ccc(Br)cc1F.
What is the InChIKey of 2-(4-bromo-2-fluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
The InChIKey is BRMHHMBYSVKVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2/c1-2-11-4-3-7-18(11)14(9-17)12-6-5-10(15)8-13(12)16/h5-6,8,11,14H,2-4,7,9,17H2,1H3.
What are the key properties of 2-(4-bromo-2-fluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine?
2-(4-bromo-2-fluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine has a molecular weight of 315.23 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-fluorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine is sourced from PubChem (CID 54882818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).