N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine

C15H15BrFNS — CID 54900447

IUPACN-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(C(NCc2ccc(Br)s2)C2CC2)cc1
InChIInChI=1S/C15H15BrFNS/c16-14-8-7-13(19-14)9-18-15(10-1-2-10)11-3-5-12(17)6-4-11/h3-8,10,15,18H,1-2,9H2
InChIKeyZOAGKJPNZWUWBJ-UHFFFAOYSA-N
MW340.26 g/mol
LogP4.89
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine

N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine (PubChem CID 54900447) has the molecular formula C15H15BrFNS and a molecular weight of 340.26 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
PubChem CID54900447
Molecular FormulaC15H15BrFNS
Molecular Weight340.26 g/mol
Exact Mass339.01
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
SMILESFc1ccc(C(NCc2ccc(Br)s2)C2CC2)cc1
InChIInChI=1S/C15H15BrFNS/c16-14-8-7-13(19-14)9-18-15(10-1-2-10)11-3-5-12(17)6-4-11/h3-8,10,15,18H,1-2,9H2
InChIKeyZOAGKJPNZWUWBJ-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.26
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine (CID 54900447) is N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine is Fc1ccc(C(NCc2ccc(Br)s2)C2CC2)cc1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine?
The InChIKey is ZOAGKJPNZWUWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNS/c16-14-8-7-13(19-14)9-18-15(10-1-2-10)11-3-5-12(17)6-4-11/h3-8,10,15,18H,1-2,9H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine?
N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine has a molecular weight of 340.26 g/mol, XLogP of 4.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine is sourced from PubChem (CID 54900447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).