(2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine

C10H9Br2NOS — CID 106851869

IUPAC(2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2ccoc2Br)sc1Br
InChIInChI=1S/C10H9Br2NOS/c1-5-4-7(15-10(5)12)8(13)6-2-3-14-9(6)11/h2-4,8H,13H2,1H3
InChIKeyWWQKKYDTMRPIMA-UHFFFAOYSA-N
MW351.06 g/mol
LogP4.22
Rot. Bonds2

About (2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine

(2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine (PubChem CID 106851869) has the molecular formula C10H9Br2NOS and a molecular weight of 351.06 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine
PubChem CID106851869
Molecular FormulaC10H9Br2NOS
Molecular Weight351.06 g/mol
Exact Mass348.88
IUPAC Name(2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine
SMILESCc1cc(C(N)c2ccoc2Br)sc1Br
InChIInChI=1S/C10H9Br2NOS/c1-5-4-7(15-10(5)12)8(13)6-2-3-14-9(6)11/h2-4,8H,13H2,1H3
InChIKeyWWQKKYDTMRPIMA-UHFFFAOYSA-N
XLogP4.22
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.06
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromofuran-3-yl)-(2-methylphenyl)methanamine
CID 106856979
(5-bromo-4-methylthiophen-2-yl)-(2-methylsulfanylphenyl)methanamine
CID 79991416
(5-bromo-4-chlorothiophen-2-yl)-(2-methylfuran-3-yl)methanamine
CID 80530831
(2-bromofuran-3-yl)-(2,3,5,6-tetramethylphenyl)methanamine
CID 106851480
(5-bromo-4-methylthiophen-2-yl)-(furan-3-yl)methanamine
CID 79992382
(2-bromofuran-3-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106857495
(5-bromo-4-methylthiophen-2-yl)-(5-chloro-2-methylphenyl)methanamine
CID 82884129
(5-bromo-2-chlorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79992281
(2-bromo-4-fluorophenyl)-(5-bromo-4-methylthiophen-2-yl)methanamine
CID 79991953
(5-bromo-4-methylthiophen-2-yl)-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850913
(5-bromo-4-methylthiophen-2-yl)-(2-chloro-3-fluorophenyl)methanamine
CID 81454040
(5-bromo-4-methylthiophen-2-yl)-(2-propoxyphenyl)methanamine
CID 105035965

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine?
The IUPAC name of (2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine (CID 106851869) is (2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine.
What is the SMILES notation for (2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine?
The canonical SMILES for (2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine is Cc1cc(C(N)c2ccoc2Br)sc1Br.
What is the InChIKey of (2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine?
The InChIKey is WWQKKYDTMRPIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Br2NOS/c1-5-4-7(15-10(5)12)8(13)6-2-3-14-9(6)11/h2-4,8H,13H2,1H3.
What are the key properties of (2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine?
(2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine has a molecular weight of 351.06 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(5-bromo-4-methylthiophen-2-yl)methanamine is sourced from PubChem (CID 106851869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).