N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine

C16H17BrFNS — CID 79440980

IUPACN-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine
SMILESFc1cccc(C(CNC2CC2)Cc2ccc(Br)s2)c1
InChIInChI=1S/C16H17BrFNS/c17-16-7-6-15(20-16)9-12(10-19-14-4-5-14)11-2-1-3-13(18)8-11/h1-3,6-8,12,14,19H,4-5,9-10H2
InChIKeyKZVPCLGXSRCPPS-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.73
Rot. Bonds6

About N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine

N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine (PubChem CID 79440980) has the molecular formula C16H17BrFNS and a molecular weight of 354.29 g/mol. Its IUPAC name is N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine
PubChem CID79440980
Molecular FormulaC16H17BrFNS
Molecular Weight354.29 g/mol
Exact Mass353.02
IUPAC NameN-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine
SMILESFc1cccc(C(CNC2CC2)Cc2ccc(Br)s2)c1
InChIInChI=1S/C16H17BrFNS/c17-16-7-6-15(20-16)9-12(10-19-14-4-5-14)11-2-1-3-13(18)8-11/h1-3,6-8,12,14,19H,4-5,9-10H2
InChIKeyKZVPCLGXSRCPPS-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2-bromophenyl)-2-(3-fluorophenyl)propyl]cyclopropanamine
CID 79432897
N-[2-(3-fluorophenyl)-3-(1,3-thiazol-5-yl)propyl]cyclopropanamine
CID 112644215
N-[2-(3-bromophenyl)-3-(5-ethylthiophen-2-yl)propyl]cyclopropanamine
CID 79430577
[2-(5-bromothiophen-2-yl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 105192898
N-[2-(4-bromophenyl)-3-(3-fluorophenyl)propyl]cyclopropanamine
CID 79430769
N-[2-(3-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)propyl]cyclopropanamine
CID 79440371
N-[2-(3-fluorophenyl)-4-methylheptyl]cyclopropanamine
CID 79440904
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-1,2,4-triazol-3-yl)propyl]cyclopropanamine
CID 79440449
N-[2-[(5-bromothiophen-2-yl)methyl]butyl]cyclopropanamine
CID 62531192

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine (CID 79440980) is N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine is Fc1cccc(C(CNC2CC2)Cc2ccc(Br)s2)c1.
What is the InChIKey of N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine?
The InChIKey is KZVPCLGXSRCPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrFNS/c17-16-7-6-15(20-16)9-12(10-19-14-4-5-14)11-2-1-3-13(18)8-11/h1-3,6-8,12,14,19H,4-5,9-10H2.
What are the key properties of N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine?
N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine has a molecular weight of 354.29 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromothiophen-2-yl)-2-(3-fluorophenyl)propyl]cyclopropanamine is sourced from PubChem (CID 79440980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).