1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine

C13H18BrFN2 — CID 116951610

IUPAC1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
SMILESCNC(CC1CCNC1)c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2/c1-16-13(6-9-4-5-17-8-9)11-7-10(14)2-3-12(11)15/h2-3,7,9,13,16-17H,4-6,8H2,1H3
InChIKeySZGACGKFIXHRRS-UHFFFAOYSA-N
MW301.20 g/mol
LogP2.85
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine

1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine (PubChem CID 116951610) has the molecular formula C13H18BrFN2 and a molecular weight of 301.20 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
PubChem CID116951610
Molecular FormulaC13H18BrFN2
Molecular Weight301.20 g/mol
Exact Mass300.06
IUPAC Name1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
SMILESCNC(CC1CCNC1)c1cc(Br)ccc1F
InChIInChI=1S/C13H18BrFN2/c1-16-13(6-9-4-5-17-8-9)11-7-10(14)2-3-12(11)15/h2-3,7,9,13,16-17H,4-6,8H2,1H3
InChIKeySZGACGKFIXHRRS-UHFFFAOYSA-N
XLogP2.85
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.20
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951614
1-(5-bromo-2-fluorophenyl)-N-methyl-2-morpholin-2-ylethanamine
CID 116956863
1-(5-bromo-2-methylphenyl)-N-methyl-2-piperidin-3-ylethanamine
CID 116951753
1-(2-bromophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951632
1-(5-bromo-2-fluorophenyl)-N-methyl-2-(4-methylpiperazin-2-yl)ethanamine
CID 116956912
1-(4-bromo-2-fluorophenyl)-2-cyclohexyl-N-methylethanamine
CID 114906443
1-(5-bromothiophen-2-yl)-N-methyl-2-pyrrolidin-3-ylethanamine
CID 116951565
1-(5-bromo-2-fluorophenyl)-2-(4-bromophenyl)-N-methylethanamine
CID 63529120
1-(5-bromo-2-fluorophenyl)-N-methylpent-4-en-1-amine
CID 114894774
N-[1-(5-bromo-2-fluorophenyl)-2-cyclohexylethyl]propan-1-amine
CID 114895057
1-(5-bromo-2-fluorophenyl)-3-ethyl-N-methylpentan-1-amine
CID 114894764
N-[(5-bromo-2-fluorophenyl)methyl]-2-pyrrolidin-3-ylethanamine
CID 115210777

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine (CID 116951610) is 1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine is CNC(CC1CCNC1)c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
The InChIKey is SZGACGKFIXHRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrFN2/c1-16-13(6-9-4-5-17-8-9)11-7-10(14)2-3-12(11)15/h2-3,7,9,13,16-17H,4-6,8H2,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine?
1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine has a molecular weight of 301.20 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-N-methyl-2-pyrrolidin-3-ylethanamine is sourced from PubChem (CID 116951610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).