[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine

C11H14BrFN2 — CID 107600716

IUPAC[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2c(F)cccc2Br)C1
InChIInChI=1S/C11H14BrFN2/c12-9-2-1-3-10(13)11(9)15-5-4-8(6-14)7-15/h1-3,8H,4-7,14H2
InChIKeySRTKIMOYSMVRKD-UHFFFAOYSA-N
MW273.15 g/mol
LogP2.37
Rot. Bonds2

About [1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine

[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine (PubChem CID 107600716) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is [1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine
PubChem CID107600716
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine
SMILESNCC1CCN(c2c(F)cccc2Br)C1
InChIInChI=1S/C11H14BrFN2/c12-9-2-1-3-10(13)11(9)15-5-4-8(6-14)7-15/h1-3,8H,4-7,14H2
InChIKeySRTKIMOYSMVRKD-UHFFFAOYSA-N
XLogP2.37
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 107600717
[1-(2,3-difluorophenyl)pyrrolidin-3-yl]methanamine
CID 61076640
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-(2-bromo-6-fluorophenyl)methanone
CID 124569711
[1-(2,6-dibromo-4-methylphenyl)pyrrolidin-3-yl]methanamine
CID 43126275
[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 43119509
[1-(2-bromo-5-chlorophenyl)pyrrolidin-3-yl]methanamine
CID 81280509
1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine
CID 107603732
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069119
8-(2-bromo-6-fluorophenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 107603606
4-[3-(aminomethyl)pyrrolidin-1-yl]-3,5-difluorobenzoic acid
CID 63184853
[1-[5-(2-bromo-6-fluorophenyl)-1H-1,2,4-triazol-3-yl]piperidin-4-yl]methanamine
CID 102800788
[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methanamine
CID 61474220

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine (CID 107600716) is [1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine is NCC1CCN(c2c(F)cccc2Br)C1.
What is the InChIKey of [1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine?
The InChIKey is SRTKIMOYSMVRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2/c12-9-2-1-3-10(13)11(9)15-5-4-8(6-14)7-15/h1-3,8H,4-7,14H2.
What are the key properties of [1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine?
[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine has a molecular weight of 273.15 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 107600716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).