N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine

C13H17BrFN — CID 62528286

IUPACN-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)Cc1cc(Br)ccc1F
InChIInChI=1S/C13H17BrFN/c1-9(8-16-12-3-4-12)6-10-7-11(14)2-5-13(10)15/h2,5,7,9,12,16H,3-4,6,8H2,1H3
InChIKeyLUFFHSDSIDAVFP-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.52
Rot. Bonds5

About N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine

N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine (PubChem CID 62528286) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine
PubChem CID62528286
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC NameN-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine
SMILESCC(CNC1CC1)Cc1cc(Br)ccc1F
InChIInChI=1S/C13H17BrFN/c1-9(8-16-12-3-4-12)6-10-7-11(14)2-5-13(10)15/h2,5,7,9,12,16H,3-4,6,8H2,1H3
InChIKeyLUFFHSDSIDAVFP-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-[(5-bromo-2-fluorophenyl)methyl]-4-methylpentyl]cyclopropanamine
CID 63497972
3-(5-bromo-2-fluorophenyl)-2-methyl-N-propylpropan-1-amine
CID 62529881
N-[(5-bromo-2-fluorophenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091603
N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528488
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 112654135
1-(5-chloro-2-fluorophenyl)-3-(cyclopropylamino)propan-2-ol
CID 103051132
N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079881
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408
N-[3-(4-bromo-2-fluorophenyl)-2-cyclopentylpropyl]cyclopropanamine
CID 115926774
N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethylcyclopropan-1-amine
CID 61221751
2-(5-bromo-2-fluorophenyl)-1-cyclohexylethanamine
CID 55095635
N-[2-(5-bromo-2-fluorophenoxy)butyl]cyclopropanamine
CID 114676931

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine?
The IUPAC name of N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine (CID 62528286) is N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine.
What is the SMILES notation for N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine?
The canonical SMILES for N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine is CC(CNC1CC1)Cc1cc(Br)ccc1F.
What is the InChIKey of N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine?
The InChIKey is LUFFHSDSIDAVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-9(8-16-12-3-4-12)6-10-7-11(14)2-5-13(10)15/h2,5,7,9,12,16H,3-4,6,8H2,1H3.
What are the key properties of N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine?
N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine has a molecular weight of 286.19 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromo-2-fluorophenyl)-2-methylpropyl]cyclopropanamine is sourced from PubChem (CID 62528286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).