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

C15H16Br2FNS — CID 105020455

IUPACN-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1Br)c1sccc1Br
InChIInChI=1S/C15H16Br2FNS/c1-2-7-19-13(15-11(16)6-8-20-15)9-10-4-3-5-12(18)14(10)17/h3-6,8,13,19H,2,7,9H2,1H3
InChIKeyGEDNEVXEMOGHMA-UHFFFAOYSA-N
MW421.17 g/mol
LogP5.70
Rot. Bonds6

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

N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine (PubChem CID 105020455) has the molecular formula C15H16Br2FNS and a molecular weight of 421.17 g/mol. Its IUPAC name is N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
PubChem CID105020455
Molecular FormulaC15H16Br2FNS
Molecular Weight421.17 g/mol
Exact Mass418.94
IUPAC NameN-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cccc(F)c1Br)c1sccc1Br
InChIInChI=1S/C15H16Br2FNS/c1-2-7-19-13(15-11(16)6-8-20-15)9-10-4-3-5-12(18)14(10)17/h3-6,8,13,19H,2,7,9H2,1H3
InChIKeyGEDNEVXEMOGHMA-UHFFFAOYSA-N
XLogP5.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.17
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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N-[2-(2-bromo-3-fluorophenyl)-1-(4,5-dibromothiophen-2-yl)ethyl]propan-1-amine
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N-[2-(2-bromo-3-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethyl]propan-1-amine
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N-[1-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
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N-[2-(3-bromothiophen-2-yl)-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522485
N-[2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 81121909
N-[2-(2-bromo-3-fluorophenyl)-1-(2-bromofuran-3-yl)ethyl]propan-1-amine
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1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032294
N-[2-(2-chloro-3-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethyl]propan-1-amine
CID 105032431
N-[1-(3-bromothiophen-2-yl)-2-thiophen-3-ylethyl]propan-1-amine
CID 63798477
N-[1-(3-bromothiophen-2-yl)-2-(4-bromothiophen-2-yl)ethyl]propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine (CID 105020455) is N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine is CCCNC(Cc1cccc(F)c1Br)c1sccc1Br.
What is the InChIKey of N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine?
The InChIKey is GEDNEVXEMOGHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2FNS/c1-2-7-19-13(15-11(16)6-8-20-15)9-10-4-3-5-12(18)14(10)17/h3-6,8,13,19H,2,7,9H2,1H3.
What are the key properties of N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine?
N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine has a molecular weight of 421.17 g/mol, XLogP of 5.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-bromo-3-fluorophenyl)-1-(3-bromothiophen-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105020455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).