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

C18H19BrFN — CID 79431040

IUPACN-[3-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine
SMILESFc1ccc(C(CNC2CC2)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C18H19BrFN/c19-16-3-1-2-13(11-16)10-15(12-21-18-8-9-18)14-4-6-17(20)7-5-14/h1-7,11,15,18,21H,8-10,12H2
InChIKeyXQRWDKJFUJUEIP-UHFFFAOYSA-N
MW348.26 g/mol
LogP4.67
Rot. Bonds6

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

N-[3-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine (PubChem CID 79431040) has the molecular formula C18H19BrFN and a molecular weight of 348.26 g/mol. Its IUPAC name is N-[3-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine
PubChem CID79431040
Molecular FormulaC18H19BrFN
Molecular Weight348.26 g/mol
Exact Mass347.07
IUPAC NameN-[3-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine
SMILESFc1ccc(C(CNC2CC2)Cc2cccc(Br)c2)cc1
InChIInChI=1S/C18H19BrFN/c19-16-3-1-2-13(11-16)10-15(12-21-18-8-9-18)14-4-6-17(20)7-5-14/h1-7,11,15,18,21H,8-10,12H2
InChIKeyXQRWDKJFUJUEIP-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-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine
CID 79430769
N-[2-(3-bromophenyl)-3-(furan-3-yl)propyl]cyclopropanamine
CID 83182710
N-[2-(4-fluorophenyl)-3-(2-methylphenyl)propyl]cyclopropanamine
CID 79431035
3-(cyclopropylamino)-2-(4-fluorophenyl)propan-1-ol
CID 117244719
N-[2-(4-bromophenyl)-3-(2-fluorophenyl)propyl]cyclopropanamine
CID 79430772
N-[2,3-bis(3-chlorophenyl)propyl]cyclopropanamine
CID 79433698
2-(3-bromophenyl)-3-(cyclopropylamino)propan-1-ol
CID 117242819
N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79432897
N-[(3-bromophenyl)methyl]-1-(cyclopropylamino)propane-2-sulfonamide
CID 106018688
3-(3-bromophenyl)-N-ethyl-2-(3-fluorophenyl)propan-1-amine
CID 79440215
N-[2-(3-bromophenyl)-5-methylhexyl]cyclopropanamine
CID 79443132
N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79440980

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine (CID 79431040) is N-[3-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine is Fc1ccc(C(CNC2CC2)Cc2cccc(Br)c2)cc1.
What is the InChIKey of N-[3-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine?
The InChIKey is XQRWDKJFUJUEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrFN/c19-16-3-1-2-13(11-16)10-15(12-21-18-8-9-18)14-4-6-17(20)7-5-14/h1-7,11,15,18,21H,8-10,12H2.
What are the key properties of N-[3-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine?
N-[3-(3-bromophenyl)-2-(4-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-(3-bromophenyl)-2-(4-fluorophenyl)propyl]cyclopropanamine is sourced from PubChem (CID 79431040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).