N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine

C18H19BrFN — CID 79430769

IUPACN-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine
SMILESFc1cccc(CC(CNC2CC2)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H19BrFN/c19-16-6-4-14(5-7-16)15(12-21-18-8-9-18)10-13-2-1-3-17(20)11-13/h1-7,11,15,18,21H,8-10,12H2
InChIKeyNZSCAMMDJTWTTP-UHFFFAOYSA-N
MW348.26 g/mol
LogP4.67
Rot. Bonds6

About N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine

N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine (PubChem CID 79430769) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine
PubChem CID79430769
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC NameN-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine
SMILESFc1cccc(CC(CNC2CC2)c2ccc(Br)cc2)c1
InChIInChI=1S/C18H19BrFN/c19-16-6-4-14(5-7-16)15(12-21-18-8-9-18)10-13-2-1-3-17(20)11-13/h1-7,11,15,18,21H,8-10,12H2
InChIKeyNZSCAMMDJTWTTP-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.26
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[3-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine
CID 79431040
N-[2-(4-bromophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine
CID 79430772
N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016597
N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79432897
N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79440980
N-[2-[(3-fluorophenyl)methyl]pentyl]cyclopropanamine
CID 62528134
N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
CID 79433698
N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine
CID 83182710
N-[2-[(3-fluorophenyl)methyl]-3-(furan-2-yl)propyl]cyclopropanamine
CID 62998866
N-[3-(4-ethylphenyl)-2-phenylpropyl]cyclopropanamine
CID 65430983
N-[2-(4-fluorophenyl)-3-(2-methylphenyl)propyl]cyclopropanamine
CID 79431035
N-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine
CID 81027097

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine (CID 79430769) is N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine is Fc1cccc(CC(CNC2CC2)c2ccc(Br)cc2)c1.
What is the InChIKey of N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine?
The InChIKey is NZSCAMMDJTWTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c19-16-6-4-14(5-7-16)15(12-21-18-8-9-18)10-13-2-1-3-17(20)11-13/h1-7,11,15,18,21H,8-10,12H2.
What are the key properties of N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine?
N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine has a molecular weight of 348.26 g/mol, XLogP of 4.67, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine is sourced from PubChem (CID 79430769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).