N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine

C12H15BrFN — CID 62396524

IUPACN-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine
SMILESCC(NC1CC1C)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H15BrFN/c1-7-5-12(7)15-8(2)9-3-4-11(14)10(13)6-9/h3-4,6-8,12,15H,5H2,1-2H3
InChIKeyBYNZWBDTHCNPEP-UHFFFAOYSA-N
MW272.16 g/mol
LogP3.65
Rot. Bonds3

About N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine

N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine (PubChem CID 62396524) has the molecular formula C12H15BrFN and a molecular weight of 272.16 g/mol. Its IUPAC name is N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine
PubChem CID62396524
Molecular FormulaC12H15BrFN
Molecular Weight272.16 g/mol
Exact Mass271.04
IUPAC NameN-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine
SMILESCC(NC1CC1C)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H15BrFN/c1-7-5-12(7)15-8(2)9-3-4-11(14)10(13)6-9/h3-4,6-8,12,15H,5H2,1-2H3
InChIKeyBYNZWBDTHCNPEP-UHFFFAOYSA-N
XLogP3.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.16
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromo-4-fluorophenyl)-N-(cyclohexylmethyl)ethanamine
CID 43775644
1-(3-bromo-4-fluorophenyl)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanamine
CID 61013264
N-[(3-bromo-4-fluorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397492
4-[1-(3-bromo-4-fluorophenyl)ethylamino]cyclohexane-1-carboxamide
CID 43791702
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64761855
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755957
2-bromo-1-fluoro-4-(1-fluoroethyl)benzene
CID 84686324
1-(3-bromo-4-fluorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 54927743
N-[1-(3-bromo-4-fluorophenyl)ethyl]aniline
CID 43756125
N-[1-(2,4-dibromophenyl)ethyl]-2-methylcyclopropan-1-amine
CID 62398713
N-[1-(3,4-difluorophenyl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115649937
2-[1-(3-bromo-4-fluorophenyl)ethylamino]propane-1,3-diol
CID 65315700

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine?
The IUPAC name of N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine (CID 62396524) is N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine.
What is the SMILES notation for N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine?
The canonical SMILES for N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine is CC(NC1CC1C)c1ccc(F)c(Br)c1.
What is the InChIKey of N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine?
The InChIKey is BYNZWBDTHCNPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN/c1-7-5-12(7)15-8(2)9-3-4-11(14)10(13)6-9/h3-4,6-8,12,15H,5H2,1-2H3.
What are the key properties of N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine?
N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine has a molecular weight of 272.16 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-4-fluorophenyl)ethyl]-2-methylcyclopropan-1-amine is sourced from PubChem (CID 62396524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).