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

C18H19BrFN — CID 79432897

IUPACN-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine
SMILESFc1cccc(C(CNC2CC2)Cc2ccccc2Br)c1
InChIInChI=1S/C18H19BrFN/c19-18-7-2-1-4-14(18)10-15(12-21-17-8-9-17)13-5-3-6-16(20)11-13/h1-7,11,15,17,21H,8-10,12H2
InChIKeyFKDWBNMFMNDXNE-UHFFFAOYSA-N
MW348.26 g/mol
LogP4.67
Rot. Bonds6

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

N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine (PubChem CID 79432897) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine
PubChem CID79432897
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC NameN-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine
SMILESFc1cccc(C(CNC2CC2)Cc2ccccc2Br)c1
InChIInChI=1S/C18H19BrFN/c19-18-7-2-1-4-14(18)10-15(12-21-17-8-9-17)13-5-3-6-16(20)11-13/h1-7,11,15,17,21H,8-10,12H2
InChIKeyFKDWBNMFMNDXNE-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-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79440980
N-[3-(2-fluorophenyl)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 79422729
N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine
CID 79430769
N-[3-(5-fluoro-2-methylphenyl)-2-phenylpropyl]cyclopropanamine
CID 81027097
N-[2-(4-bromophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine
CID 79430772
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 112644215
N-[2-(4-fluorophenyl)-3-(2-methylphenyl)propyl]cyclopropanamine
CID 79431035
N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 117242573
N-[2-(3-fluorophenyl)nonyl]cyclopropanamine
CID 79440903
N-[2-(3-fluorophenyl)-3-(1-methyltriazol-4-yl)propyl]cyclopropanamine
CID 107053416
N-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 79440371
N-[2-(3-fluorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79440449

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine (CID 79432897) is N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine is Fc1cccc(C(CNC2CC2)Cc2ccccc2Br)c1.
What is the InChIKey of N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine?
The InChIKey is FKDWBNMFMNDXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c19-18-7-2-1-4-14(18)10-15(12-21-17-8-9-17)13-5-3-6-16(20)11-13/h1-7,11,15,17,21H,8-10,12H2.
What are the key properties of N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine?
N-[3-(2-bromophenyl)-2-(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-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine is sourced from PubChem (CID 79432897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).