N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

C15H22BrFN2 — CID 107600717

IUPACN-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(c2c(F)cccc2Br)C1
InChIInChI=1S/C15H22BrFN2/c1-15(2,3)18-9-11-7-8-19(10-11)14-12(16)5-4-6-13(14)17/h4-6,11,18H,7-10H2,1-3H3
InChIKeyYAERVBNWKGEVGU-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.80
Rot. Bonds3

About N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107600717) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID107600717
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC NameN-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(c2c(F)cccc2Br)C1
InChIInChI=1S/C15H22BrFN2/c1-15(2,3)18-9-11-7-8-19(10-11)14-12(16)5-4-6-13(14)17/h4-6,11,18H,7-10H2,1-3H3
InChIKeyYAERVBNWKGEVGU-UHFFFAOYSA-N
XLogP3.80
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.26
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 107600716
N-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512249
1-(2-bromo-6-fluorophenyl)-N-ethylpiperidin-3-amine
CID 107603732
N-[[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512586
N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62511596
2-methyl-N-[[1-(5,6,7,8-tetrahydronaphthalen-1-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62512720
2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine
CID 62513694
N-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 114254543
N-[[1-[(3-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62592584
1-[1-(3-fluoro-2-methylphenyl)pyrrolidin-3-yl]-N-methylmethanamine
CID 62513124
1-(2-bromo-6-fluorophenyl)-4-methylpiperazine
CID 139569555
2-methyl-N-[[1-(4-methyl-3-pyridinyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63327737

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (CID 107600717) is N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCN(c2c(F)cccc2Br)C1.
What is the InChIKey of N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is YAERVBNWKGEVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-15(2,3)18-9-11-7-8-19(10-11)14-12(16)5-4-6-13(14)17/h4-6,11,18H,7-10H2,1-3H3.
What are the key properties of N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 329.26 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107600717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).