(3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine

C11H7Br4NS — CID 114023500

IUPAC(3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine
SMILESNC(c1cc(Br)cc(Br)c1)c1cc(Br)sc1Br
InChIInChI=1S/C11H7Br4NS/c12-6-1-5(2-7(13)3-6)10(16)8-4-9(14)17-11(8)15/h1-4,10H,16H2
InChIKeyMTXUVAPEMNXVCJ-UHFFFAOYSA-N
MW504.87 g/mol
LogP5.85
Rot. Bonds2

About (3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine

(3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine (PubChem CID 114023500) has the molecular formula C11H7Br4NS and a molecular weight of 504.87 g/mol. Its IUPAC name is (3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine.

Molecular Properties

Compound Name(3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine
PubChem CID114023500
Molecular FormulaC11H7Br4NS
Molecular Weight504.87 g/mol
Exact Mass500.70
IUPAC Name(3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine
SMILESNC(c1cc(Br)cc(Br)c1)c1cc(Br)sc1Br
InChIInChI=1S/C11H7Br4NS/c12-6-1-5(2-7(13)3-6)10(16)8-4-9(14)17-11(8)15/h1-4,10H,16H2
InChIKeyMTXUVAPEMNXVCJ-UHFFFAOYSA-N
XLogP5.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.87
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dibromothiophen-3-yl)-(3-methylphenyl)methanamine
CID 43345006
(5-bromo-2-methylthiophen-3-yl)-(2,5-dibromothiophen-3-yl)methanamine
CID 107961099
(2,5-dibromothiophen-3-yl)-[4-(2-methylpropyl)phenyl]methanamine
CID 107960519
cyclopenten-1-yl-(2,5-dibromothiophen-3-yl)methanamine
CID 107960917
(2,5-dibromothiophen-3-yl)-[3-(2-methylpropyl)phenyl]methanamine
CID 107969258
(2,5-dibromothiophen-3-yl)-(2,5-dichlorophenyl)methanamine
CID 43345039
(2,5-dibromothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanamine
CID 107968244
7-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,4-dihydro-2H-isoquinolin-1-one
CID 107961053
(2,5-dibromothiophen-3-yl)-(3-methylthiophen-2-yl)methanamine
CID 43464814
(3,5-dibromophenyl)-(2,3-difluorophenyl)methanamine
CID 114023013
(3,5-dibromophenyl)-thiophen-2-ylmethanamine
CID 107973859
5-[amino-(2,5-dibromothiophen-3-yl)methyl]-3,3-dimethyl-1H-indol-2-one
CID 107961168

Frequently Asked Questions

What is the IUPAC name of (3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine?
The IUPAC name of (3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine (CID 114023500) is (3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine.
What is the SMILES notation for (3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine?
The canonical SMILES for (3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine is NC(c1cc(Br)cc(Br)c1)c1cc(Br)sc1Br.
What is the InChIKey of (3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine?
The InChIKey is MTXUVAPEMNXVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br4NS/c12-6-1-5(2-7(13)3-6)10(16)8-4-9(14)17-11(8)15/h1-4,10H,16H2.
What are the key properties of (3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine?
(3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine has a molecular weight of 504.87 g/mol, XLogP of 5.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromophenyl)-(2,5-dibromothiophen-3-yl)methanamine is sourced from PubChem (CID 114023500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).