1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine

C12H9Br2F2NS — CID 107969352

IUPAC1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1cc(Br)sc1Br
InChIInChI=1S/C12H9Br2F2NS/c13-11-5-9(12(14)18-11)10(17)3-6-1-7(15)4-8(16)2-6/h1-2,4-5,10H,3,17H2
InChIKeyOSWDKWOUUAFZRQ-UHFFFAOYSA-N
MW397.08 g/mol
LogP4.79
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine

1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine (PubChem CID 107969352) has the molecular formula C12H9Br2F2NS and a molecular weight of 397.08 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine
PubChem CID107969352
Molecular FormulaC12H9Br2F2NS
Molecular Weight397.08 g/mol
Exact Mass394.88
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine
SMILESNC(Cc1cc(F)cc(F)c1)c1cc(Br)sc1Br
InChIInChI=1S/C12H9Br2F2NS/c13-11-5-9(12(14)18-11)10(17)3-6-1-7(15)4-8(16)2-6/h1-2,4-5,10H,3,17H2
InChIKeyOSWDKWOUUAFZRQ-UHFFFAOYSA-N
XLogP4.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.08
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-(3,5-dimethylphenyl)ethanamine
CID 107967937
1-(2,5-dibromothiophen-3-yl)-2-thiophen-3-ylethanamine
CID 107962803
2-(2-bromo-5-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 114022096
N-[1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethyl]propan-1-amine
CID 107969351
1-(2-bromo-5-fluorophenyl)-2-(3,5-difluorophenyl)ethanamine
CID 105412511
2-(2-chloro-6-fluorophenyl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 43345053
2-(3-bromothiophen-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanamine
CID 107968208
2,5-dibromo-3-[1-bromo-2-(3-fluorophenyl)ethyl]thiophene
CID 55198404
1-(2,5-dibromothiophen-3-yl)-3-phenylpropan-1-amine
CID 43167403
1-(2,5-dibromothiophen-3-yl)decan-1-amine
CID 65447630
1-(2,5-dibromothiophen-3-yl)-2-(2-methyltetrazol-5-yl)ethanamine
CID 107969527
1-(2,5-dibromothiophen-3-yl)-2-(2-methoxy-5-methylphenyl)ethanamine
CID 107968058

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine (CID 107969352) is 1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine is NC(Cc1cc(F)cc(F)c1)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine?
The InChIKey is OSWDKWOUUAFZRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2F2NS/c13-11-5-9(12(14)18-11)10(17)3-6-1-7(15)4-8(16)2-6/h1-2,4-5,10H,3,17H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine?
1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine has a molecular weight of 397.08 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-(3,5-difluorophenyl)ethanamine is sourced from PubChem (CID 107969352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).