N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine

C16H15BrFN — CID 106646457

IUPACN-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine
SMILESFc1c(Br)cccc1-c1cccc(CNC2CC2)c1
InChIInChI=1S/C16H15BrFN/c17-15-6-2-5-14(16(15)18)12-4-1-3-11(9-12)10-19-13-7-8-13/h1-6,9,13,19H,7-8,10H2
InChIKeyJEFGPUOKOYIZGF-UHFFFAOYSA-N
MW320.21 g/mol
LogP4.51
Rot. Bonds4

About N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine

N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine (PubChem CID 106646457) has the molecular formula C16H15BrFN and a molecular weight of 320.21 g/mol. Its IUPAC name is N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine
PubChem CID106646457
Molecular FormulaC16H15BrFN
Molecular Weight320.21 g/mol
Exact Mass319.04
IUPAC NameN-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine
SMILESFc1c(Br)cccc1-c1cccc(CNC2CC2)c1
InChIInChI=1S/C16H15BrFN/c17-15-6-2-5-14(16(15)18)12-4-1-3-11(9-12)10-19-13-7-8-13/h1-6,9,13,19H,7-8,10H2
InChIKeyJEFGPUOKOYIZGF-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61239688
N-[[3-(2-cyclobutylphenyl)phenyl]methyl]cyclopropanamine
CID 114605475
N-[[3-(2-fluoro-5-methylphenyl)phenyl]methyl]cyclopropanamine
CID 54911691
N-[[3-fluoro-4-(3-propylphenyl)phenyl]methyl]cyclopropanamine
CID 116545362
N-[[3-(2-fluoro-4-methoxyphenyl)phenyl]methyl]cyclopropanamine
CID 61032671
N-[[3-(3,4-dihydro-2H-chromen-8-yl)phenyl]methyl]cyclopropanamine
CID 114746607
N-[[3-(3,5-dimethylphenyl)phenyl]methyl]cyclopropanamine
CID 54912714
N-[[4-(3-bromo-2-chlorophenyl)phenyl]methyl]cyclopropanamine
CID 171934626
N-[[4-(2,3-difluorophenyl)-2-fluorophenyl]methyl]cyclopropanamine
CID 63990447
N-[[3-(5-bromo-2,3-difluorophenoxy)phenyl]methyl]cyclopropanamine
CID 107100596
N-[[3-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]cyclopropanamine
CID 102708741
N-[[3-[(2-bromophenyl)methylsulfanyl]phenyl]methyl]cyclopropanamine
CID 66347525

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine (CID 106646457) is N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine is Fc1c(Br)cccc1-c1cccc(CNC2CC2)c1.
What is the InChIKey of N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine?
The InChIKey is JEFGPUOKOYIZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN/c17-15-6-2-5-14(16(15)18)12-4-1-3-11(9-12)10-19-13-7-8-13/h1-6,9,13,19H,7-8,10H2.
What are the key properties of N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine?
N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine has a molecular weight of 320.21 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 106646457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).