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

C18H19ClFN — CID 79436421

IUPACN-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine
SMILESFc1ccccc1CC(CNC1CC1)c1ccccc1Cl
InChIInChI=1S/C18H19ClFN/c19-17-7-3-2-6-16(17)14(12-21-15-9-10-15)11-13-5-1-4-8-18(13)20/h1-8,14-15,21H,9-12H2
InChIKeyKLVKWANEWHJYFN-UHFFFAOYSA-N
MW303.81 g/mol
LogP4.56
Rot. Bonds6

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

N-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine (PubChem CID 79436421) has the molecular formula C18H19ClFN and a molecular weight of 303.81 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine
PubChem CID79436421
Molecular FormulaC18H19ClFN
Molecular Weight303.81 g/mol
Exact Mass303.12
IUPAC NameN-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine
SMILESFc1ccccc1CC(CNC1CC1)c1ccccc1Cl
InChIInChI=1S/C18H19ClFN/c19-17-7-3-2-6-16(17)14(12-21-15-9-10-15)11-13-5-1-4-8-18(13)20/h1-8,14-15,21H,9-12H2
InChIKeyKLVKWANEWHJYFN-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.81
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(4-bromophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine
CID 79430772
N-[2-(2-chlorophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79436727
N-[3-(2-fluorophenyl)-2-(3-methylphenyl)propyl]cyclopropanamine
CID 79422729
N-[3-(4-bromothiophen-2-yl)-2-(2-chlorophenyl)propyl]cyclopropanamine
CID 79449507
N-[2-(2-chlorophenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79448761
N-[2-(2-chlorophenyl)-4-ethylsulfonylbutyl]cyclopropanamine
CID 79449139
N-[2-(2-chlorophenyl)-4-propoxybutyl]cyclopropanamine
CID 106457197
N-[3-(2-bicyclo[2.2.1]heptanyl)-2-(2-chlorophenyl)propyl]cyclopropanamine
CID 79562897
N-[3-(2-chloro-3-fluorophenyl)-2-methylpropyl]cyclopropanamine
CID 112654135
N-[2-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 79439453
N-[2-(2-fluorophenyl)-6-methylheptyl]cyclopropanamine
CID 83169179
N-[2-(4-fluorophenyl)-3-(2-methylphenyl)propyl]cyclopropanamine
CID 79431035

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine?
The IUPAC name of N-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine (CID 79436421) is N-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine is Fc1ccccc1CC(CNC1CC1)c1ccccc1Cl.
What is the InChIKey of N-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine?
The InChIKey is KLVKWANEWHJYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN/c19-17-7-3-2-6-16(17)14(12-21-15-9-10-15)11-13-5-1-4-8-18(13)20/h1-8,14-15,21H,9-12H2.
What are the key properties of N-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine?
N-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine has a molecular weight of 303.81 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine is sourced from PubChem (CID 79436421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).