N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine

C15H17BrFNS — CID 43288225

IUPACN-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2ccc(F)cc2Br)s1
InChIInChI=1S/C15H17BrFNS/c1-3-8-18-10(2)14-6-7-15(19-14)12-5-4-11(17)9-13(12)16/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyXFWFUKIGRYKDMM-UHFFFAOYSA-N
MW342.28 g/mol
LogP5.38
Rot. Bonds5

About N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine

N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine (PubChem CID 43288225) has the molecular formula C15H17BrFNS and a molecular weight of 342.28 g/mol. Its IUPAC name is N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine
PubChem CID43288225
Molecular FormulaC15H17BrFNS
Molecular Weight342.28 g/mol
Exact Mass341.02
IUPAC NameN-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(-c2ccc(F)cc2Br)s1
InChIInChI=1S/C15H17BrFNS/c1-3-8-18-10(2)14-6-7-15(19-14)12-5-4-11(17)9-13(12)16/h4-7,9-10,18H,3,8H2,1-2H3
InChIKeyXFWFUKIGRYKDMM-UHFFFAOYSA-N
XLogP5.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.28
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-[5-(5-fluoro-2-methylphenyl)thiophen-2-yl]ethanamine
CID 43287860
N-[1-[5-(2,4-dichlorophenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43288307
N-[1-[5-(3-fluoro-5-methylphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 79049605
1-[5-(2-chloro-4-fluorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 43287835
1-[5-(2-bromo-4-chlorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 81279710
N-[1-[5-(2-propan-2-ylphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 43287695
N-[1-[5-(2-chloro-5-methoxyphenyl)thiophen-2-yl]ethyl]propan-1-amine
CID 63400734
N-[cyclopropyl-[5-(2,4-difluorophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 43287494
N-[(2-bromo-4-fluorophenyl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 54953144
1-[5-(4-bromo-2-chlorophenyl)thiophen-2-yl]-N-ethylethanamine
CID 43288278
1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794981
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-2-methyl-N-propylpropan-1-amine
CID 81280056

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine (CID 43288225) is N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine is CCCNC(C)c1ccc(-c2ccc(F)cc2Br)s1.
What is the InChIKey of N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine?
The InChIKey is XFWFUKIGRYKDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFNS/c1-3-8-18-10(2)14-6-7-15(19-14)12-5-4-11(17)9-13(12)16/h4-7,9-10,18H,3,8H2,1-2H3.
What are the key properties of N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine?
N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine has a molecular weight of 342.28 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 43288225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).