(4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine

C11H8Br3NS — CID 107946337

IUPAC(4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1Br)c1cscc1Br
InChIInChI=1S/C11H8Br3NS/c12-6-1-2-7(9(13)3-6)11(15)8-4-16-5-10(8)14/h1-5,11H,15H2
InChIKeyHMRNDAYWEPDAJP-UHFFFAOYSA-N
MW425.97 g/mol
LogP5.08
Rot. Bonds2

About (4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine

(4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine (PubChem CID 107946337) has the molecular formula C11H8Br3NS and a molecular weight of 425.97 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine
PubChem CID107946337
Molecular FormulaC11H8Br3NS
Molecular Weight425.97 g/mol
Exact Mass422.79
IUPAC Name(4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine
SMILESNC(c1ccc(Br)cc1Br)c1cscc1Br
InChIInChI=1S/C11H8Br3NS/c12-6-1-2-7(9(13)3-6)11(15)8-4-16-5-10(8)14/h1-5,11H,15H2
InChIKeyHMRNDAYWEPDAJP-UHFFFAOYSA-N
XLogP5.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.97
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-4-methoxyphenyl)-(2,4-dibromophenyl)methanamine
CID 107950477
(4-bromothiophen-3-yl)-(2-methylphenyl)methanamine
CID 79596069
(3-bromo-2-fluorophenyl)-(2,4-dibromophenyl)methanamine
CID 107947115
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(2,4-dibromophenyl)methanamine
CID 107950268
(4-bromothiophen-3-yl)-(2-methylsulfanylphenyl)methanamine
CID 105010938
(3-bromothiophen-2-yl)-(4-bromothiophen-3-yl)methanamine
CID 105010950
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanamine
CID 107945742
(4-bromothiophen-3-yl)-(4,5-dibromothiophen-2-yl)methanamine
CID 105010511
(4-bromothiophen-3-yl)-(4-methylphenyl)methanamine
CID 79594983
(2,4-dibromophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 107950473
(2,4-dibromophenyl)-(4-methoxy-2-methylphenyl)methanamine
CID 107945310
(4-bromothiophen-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 130993276

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine?
The IUPAC name of (4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine (CID 107946337) is (4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine.
What is the SMILES notation for (4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine?
The canonical SMILES for (4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine is NC(c1ccc(Br)cc1Br)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine?
The InChIKey is HMRNDAYWEPDAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br3NS/c12-6-1-2-7(9(13)3-6)11(15)8-4-16-5-10(8)14/h1-5,11H,15H2.
What are the key properties of (4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine?
(4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine has a molecular weight of 425.97 g/mol, XLogP of 5.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(2,4-dibromophenyl)methanamine is sourced from PubChem (CID 107946337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).