N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine

C15H16BrClFNS — CID 103052896

IUPACN-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)c1sccc1Br
InChIInChI=1S/C15H16BrClFNS/c1-2-6-19-14(15-12(16)5-7-20-15)9-10-8-11(17)3-4-13(10)18/h3-5,7-8,14,19H,2,6,9H2,1H3
InChIKeyFAMMFPPNBGEPKI-UHFFFAOYSA-N
MW376.72 g/mol
LogP5.59
Rot. Bonds6

About N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine

N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine (PubChem CID 103052896) has the molecular formula C15H16BrClFNS and a molecular weight of 376.72 g/mol. Its IUPAC name is N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
PubChem CID103052896
Molecular FormulaC15H16BrClFNS
Molecular Weight376.72 g/mol
Exact Mass374.99
IUPAC NameN-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(Cl)ccc1F)c1sccc1Br
InChIInChI=1S/C15H16BrClFNS/c1-2-6-19-14(15-12(16)5-7-20-15)9-10-8-11(17)3-4-13(10)18/h3-5,7-8,14,19H,2,6,9H2,1H3
InChIKeyFAMMFPPNBGEPKI-UHFFFAOYSA-N
XLogP5.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.72
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63796209
N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
CID 105020455
N-[1-(3-bromothiophen-2-yl)-2-(2-chlorophenyl)ethyl]propan-1-amine
CID 63798111
N-[1-(5-bromofuran-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103052766
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103053247
N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
CID 115847708
N-[1-(3-bromophenyl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine
CID 103048462
N-[2-(3-bromo-2,6-difluorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 106274329
N-[1-(3-chlorothiophen-2-yl)-2-(2,4-difluorophenyl)ethyl]propan-1-amine
CID 80529432
1-(3-bromothiophen-2-yl)-N-propylbut-3-yn-1-amine
CID 114977322
N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 63798477
N-[2-(4-bromo-2-chlorophenyl)-1-(3-chlorothiophen-2-yl)ethyl]propan-1-amine
CID 105037954

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine (CID 103052896) is N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine is CCCNC(Cc1cc(Cl)ccc1F)c1sccc1Br.
What is the InChIKey of N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine?
The InChIKey is FAMMFPPNBGEPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClFNS/c1-2-6-19-14(15-12(16)5-7-20-15)9-10-8-11(17)3-4-13(10)18/h3-5,7-8,14,19H,2,6,9H2,1H3.
What are the key properties of N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine?
N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine has a molecular weight of 376.72 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromothiophen-2-yl)-2-(5-chloro-2-fluorophenyl)ethyl]propan-1-amine is sourced from PubChem (CID 103052896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).