1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine

C14H14BrClFNS — CID 106042044

IUPAC1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine
SMILESCC(NCCc1ccc(Cl)s1)c1ccc(Br)cc1F
InChIInChI=1S/C14H14BrClFNS/c1-9(12-4-2-10(15)8-13(12)17)18-7-6-11-3-5-14(16)19-11/h2-5,8-9,18H,6-7H2,1H3
InChIKeyLYPJBFRIUPDCKN-UHFFFAOYSA-N
MW362.70 g/mol
LogP5.20
Rot. Bonds5

About 1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine

1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine (PubChem CID 106042044) has the molecular formula C14H14BrClFNS and a molecular weight of 362.70 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine
PubChem CID106042044
Molecular FormulaC14H14BrClFNS
Molecular Weight362.70 g/mol
Exact Mass360.97
IUPAC Name1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine
SMILESCC(NCCc1ccc(Cl)s1)c1ccc(Br)cc1F
InChIInChI=1S/C14H14BrClFNS/c1-9(12-4-2-10(15)8-13(12)17)18-7-6-11-3-5-14(16)19-11/h2-5,8-9,18H,6-7H2,1H3
InChIKeyLYPJBFRIUPDCKN-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.70
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,4-dichloro-5-fluorophenyl)ethanamine
CID 106041218
1-(4-bromo-2-fluorophenyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 114906530
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3-methylbutan-1-amine
CID 82961496
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-(2,5-dimethylthiophen-3-yl)ethanamine
CID 106042121
N-[(4-bromo-2-fluorophenyl)methyl]-2-(5-chlorothiophen-2-yl)ethanamine
CID 106042182
N'-[1-(4-bromo-2-fluorophenyl)ethyl]propane-1,3-diamine
CID 82963535
4-[1-(4-bromo-2-fluorophenyl)ethylamino]butan-2-ol
CID 82964342
N-[1-(4-bromo-2-fluorophenyl)ethyl]-3,3,3-trifluoropropan-1-amine
CID 82963086
1-(4-bromo-2-fluorophenyl)-N-[2-(4-methoxyphenyl)ethyl]ethanamine
CID 82964700
3-[1-(4-bromo-2-fluorophenyl)ethylamino]propanenitrile
CID 82963032
N-[1-(4-bromo-2-fluorophenyl)ethyl]decan-1-amine
CID 82963081
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2,2-difluoroethanamine
CID 82964200

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine (CID 106042044) is 1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine is CC(NCCc1ccc(Cl)s1)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine?
The InChIKey is LYPJBFRIUPDCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrClFNS/c1-9(12-4-2-10(15)8-13(12)17)18-7-6-11-3-5-14(16)19-11/h2-5,8-9,18H,6-7H2,1H3.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine?
1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine has a molecular weight of 362.70 g/mol, XLogP of 5.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-fluorophenyl)-N-[2-(5-chlorothiophen-2-yl)ethyl]ethanamine is sourced from PubChem (CID 106042044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).