N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine

C15H21BrFN — CID 81015086

IUPACN-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H21BrFN/c1-10(11(2)9-18-14-4-5-14)7-12-8-13(17)3-6-15(12)16/h3,6,8,10-11,14,18H,4-5,7,9H2,1-2H3
InChIKeyFIQTUXWJLSIYSL-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.15
Rot. Bonds6

About N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine

N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine (PubChem CID 81015086) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
PubChem CID81015086
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)Cc1cc(F)ccc1Br
InChIInChI=1S/C15H21BrFN/c1-10(11(2)9-18-14-4-5-14)7-12-8-13(17)3-6-15(12)16/h3,6,8,10-11,14,18H,4-5,7,9H2,1-2H3
InChIKeyFIQTUXWJLSIYSL-UHFFFAOYSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2-bromo-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015745
N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016597
N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015413
N-[3-(2-bromo-5-fluorophenyl)-2-cyclopentylpropyl]-2-methylpropan-1-amine
CID 115926878
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016605
N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63452721
N'-[(2-bromo-5-fluorophenyl)methyl]-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 113409156
(2S)-1-(2-bromo-5-fluorophenyl)propan-2-amine
CID 71270516
4-(2-bromo-5-fluorophenyl)-3-methyl-N-propylbutan-2-amine
CID 54891354
N-[2-[(3-bromo-2,6-difluorophenyl)methyl]-3-methylbutyl]cyclopropanamine
CID 106271110
N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79432897

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine (CID 81015086) is N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine is CC(CNC1CC1)C(C)Cc1cc(F)ccc1Br.
What is the InChIKey of N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine?
The InChIKey is FIQTUXWJLSIYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-10(11(2)9-18-14-4-5-14)7-12-8-13(17)3-6-15(12)16/h3,6,8,10-11,14,18H,4-5,7,9H2,1-2H3.
What are the key properties of N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine?
N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine has a molecular weight of 314.24 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-bromo-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 81015086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).