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

C15H21BrFN — CID 81015745

IUPACN-[4-(2-bromo-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H21BrFN/c1-10(11(2)9-18-14-5-6-14)7-12-3-4-13(17)8-15(12)16/h3-4,8,10-11,14,18H,5-7,9H2,1-2H3
InChIKeyZGUQYMGDKWNLHT-UHFFFAOYSA-N
MW314.24 g/mol
LogP4.15
Rot. Bonds6

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

N-[4-(2-bromo-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine (PubChem CID 81015745) has the molecular formula C15H21BrFN and a molecular weight of 314.24 g/mol. Its IUPAC name is N-[4-(2-bromo-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(2-bromo-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
PubChem CID81015745
Molecular FormulaC15H21BrFN
Molecular Weight314.24 g/mol
Exact Mass313.08
IUPAC NameN-[4-(2-bromo-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
SMILESCC(CNC1CC1)C(C)Cc1ccc(F)cc1Br
InChIInChI=1S/C15H21BrFN/c1-10(11(2)9-18-14-5-6-14)7-12-3-4-13(17)8-15(12)16/h3-4,8,10-11,14,18H,5-7,9H2,1-2H3
InChIKeyZGUQYMGDKWNLHT-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-5-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015086
4-(2-bromo-4-fluorophenyl)-N-tert-butyl-2,3-dimethylbutan-1-amine
CID 81016299
N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016597
N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015413
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424573
N-[3-(2-chloro-4-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 62528488
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64568536
2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
CID 64986283
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 62600953
2-[(2-bromo-4-fluorophenyl)methyl]-N-tert-butyl-3-methylbutan-1-amine
CID 63520977
N-[4-(3-bromo-4-methoxyphenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016605
2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine
CID 65413527

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-bromo-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine?
The IUPAC name of N-[4-(2-bromo-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine (CID 81015745) is N-[4-(2-bromo-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine.
What is the SMILES notation for N-[4-(2-bromo-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine?
The canonical SMILES for N-[4-(2-bromo-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine is CC(CNC1CC1)C(C)Cc1ccc(F)cc1Br.
What is the InChIKey of N-[4-(2-bromo-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine?
The InChIKey is ZGUQYMGDKWNLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFN/c1-10(11(2)9-18-14-5-6-14)7-12-3-4-13(17)8-15(12)16/h3-4,8,10-11,14,18H,5-7,9H2,1-2H3.
What are the key properties of N-[4-(2-bromo-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine?
N-[4-(2-bromo-4-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-4-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine is sourced from PubChem (CID 81015745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).