N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine

C12H16BrFN2 — CID 81466120

IUPACN-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(Nc2cc(Br)ccc2F)CN1C
InChIInChI=1S/C12H16BrFN2/c1-8-5-10(7-16(8)2)15-12-6-9(13)3-4-11(12)14/h3-4,6,8,10,15H,5,7H2,1-2H3
InChIKeyHMRIXXOQXRGCTE-UHFFFAOYSA-N
MW287.18 g/mol
LogP3.09
Rot. Bonds2

About N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine

N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine (PubChem CID 81466120) has the molecular formula C12H16BrFN2 and a molecular weight of 287.18 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine
PubChem CID81466120
Molecular FormulaC12H16BrFN2
Molecular Weight287.18 g/mol
Exact Mass286.05
IUPAC NameN-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine
SMILESCC1CC(Nc2cc(Br)ccc2F)CN1C
InChIInChI=1S/C12H16BrFN2/c1-8-5-10(7-16(8)2)15-12-6-9(13)3-4-11(12)14/h3-4,6,8,10,15H,5,7H2,1-2H3
InChIKeyHMRIXXOQXRGCTE-UHFFFAOYSA-N
XLogP3.09
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.18
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-bromo-2-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466260
N-(5-bromo-2,4-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 102852892
methyl 3-[(1,5-dimethylpyrrolidin-3-yl)amino]-4-fluorobenzoate
CID 81466913
N-(6-bromonaphthalen-2-yl)-1,5-dimethylpyrrolidin-3-amine
CID 81467875
1,5-dimethyl-N-(2,3,5-trifluorophenyl)pyrrolidin-3-amine
CID 81465856
N-(3-bromo-2-methylphenyl)-1,5-dimethylpyrrolidin-3-amine
CID 115928714
N-(3,5-difluorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466113
2-[(1,5-dimethylpyrrolidin-3-yl)amino]-5-fluorobenzonitrile
CID 82014852
N-(4-fluoro-2-nitrophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81465828
N-(5-bromo-2-fluorophenyl)-1-propan-2-ylpiperidin-4-amine
CID 43555455
N-[3-bromo-5-(trifluoromethyl)phenyl]-1,5-dimethylpyrrolidin-3-amine
CID 81468484
1,5-dimethyl-N-(2,4,6-trichlorophenyl)pyrrolidin-3-amine
CID 81466036

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine (CID 81466120) is N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine is CC1CC(Nc2cc(Br)ccc2F)CN1C.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine?
The InChIKey is HMRIXXOQXRGCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2/c1-8-5-10(7-16(8)2)15-12-6-9(13)3-4-11(12)14/h3-4,6,8,10,15H,5,7H2,1-2H3.
What are the key properties of N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine?
N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine has a molecular weight of 287.18 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-1,5-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 81466120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).