N-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

C15H22BrFN2 — CID 62512249

IUPACN-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(c2ccc(F)cc2Br)C1
InChIInChI=1S/C15H22BrFN2/c1-15(2,3)18-9-11-6-7-19(10-11)14-5-4-12(17)8-13(14)16/h4-5,8,11,18H,6-7,9-10H2,1-3H3
InChIKeyGMPDHXGEVBQSBD-UHFFFAOYSA-N
MW329.26 g/mol
LogP3.80
Rot. Bonds3

About N-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62512249) has the molecular formula C15H22BrFN2 and a molecular weight of 329.26 g/mol. Its IUPAC name is N-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62512249
Molecular FormulaC15H22BrFN2
Molecular Weight329.26 g/mol
Exact Mass328.10
IUPAC NameN-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCN(c2ccc(F)cc2Br)C1
InChIInChI=1S/C15H22BrFN2/c1-15(2,3)18-9-11-6-7-19(10-11)14-5-4-12(17)8-13(14)16/h4-5,8,11,18H,6-7,9-10H2,1-3H3
InChIKeyGMPDHXGEVBQSBD-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-4-fluorophenyl)pyrrolidin-3-yl]methanamine
CID 43119509
N-[[1-(4-bromo-2-chlorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62512586
N-[[1-(2-bromo-6-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 107600717
N-[[1-(4-chloro-2-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 62511596
N-[[1-(2-bromo-5-fluorophenyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 107636418
2-[1-[2-[(tert-butylamino)methyl]-4-fluorophenyl]pyrrolidin-3-yl]ethanol
CID 114798666
1-(2-bromo-4-fluorophenyl)-N-methylpiperidin-4-amine
CID 60861637
N-[[1-(5-fluoro-3-pyridinyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 114254543
N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62511468
N-[[1-(5-fluoro-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 55081383
N-[[1-(2,5-dichloro-4-methylphenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
CID 104727346
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-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (CID 62512249) is N-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCN(c2ccc(F)cc2Br)C1.
What is the InChIKey of N-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is GMPDHXGEVBQSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrFN2/c1-15(2,3)18-9-11-6-7-19(10-11)14-5-4-12(17)8-13(14)16/h4-5,8,11,18H,6-7,9-10H2,1-3H3.
What are the key properties of N-[[1-(2-bromo-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-(2-bromo-4-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-4-fluorophenyl)pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62512249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).