(4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine

C10H10BrNOS — CID 104804459

IUPAC(4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1C(N)c1cscc1Br
InChIInChI=1S/C10H10BrNOS/c1-6-2-3-13-10(6)9(12)7-4-14-5-8(7)11/h2-5,9H,12H2,1H3
InChIKeyXQSSUEHTHWEHNX-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.46
Rot. Bonds2

About (4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine

(4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine (PubChem CID 104804459) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is (4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine
PubChem CID104804459
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name(4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine
SMILESCc1ccoc1C(N)c1cscc1Br
InChIInChI=1S/C10H10BrNOS/c1-6-2-3-13-10(6)9(12)7-4-14-5-8(7)11/h2-5,9H,12H2,1H3
InChIKeyXQSSUEHTHWEHNX-UHFFFAOYSA-N
XLogP3.46
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromothiophen-3-yl)-(2-methylphenyl)methanamine
CID 79596069
(4-bromothiophen-3-yl)-(5-methylfuran-2-yl)methanamine
CID 105010579
(4-bromothiophen-3-yl)-(4-methylphenyl)methanamine
CID 79594983
3-[amino-(3-methylfuran-2-yl)methyl]pyridin-2-amine
CID 104804433
(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-(3-methylfuran-2-yl)methanamine
CID 104541452
(4-bromothiophen-3-yl)-(4,5-dimethylthiophen-2-yl)methanamine
CID 105010852
(4-bromothiophen-3-yl)-(2-methylfuran-3-yl)methanol
CID 104789594
3-[amino-(3-methylfuran-2-yl)methyl]pyridin-4-amine
CID 104804566
(3,5-dimethylthiophen-2-yl)-(3-methylfuran-2-yl)methanamine
CID 81156385
(4-bromothiophen-3-yl)-(5-methylthiophen-3-yl)methanamine
CID 130993276
(4-chloronaphthalen-1-yl)-(3-methylfuran-2-yl)methanamine
CID 79596963
(2-ethoxyphenyl)-(3-methylfuran-2-yl)methanamine
CID 113455148

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine?
The IUPAC name of (4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine (CID 104804459) is (4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine.
What is the SMILES notation for (4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine?
The canonical SMILES for (4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine is Cc1ccoc1C(N)c1cscc1Br.
What is the InChIKey of (4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine?
The InChIKey is XQSSUEHTHWEHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c1-6-2-3-13-10(6)9(12)7-4-14-5-8(7)11/h2-5,9H,12H2,1H3.
What are the key properties of (4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine?
(4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine has a molecular weight of 272.17 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-3-yl)-(3-methylfuran-2-yl)methanamine is sourced from PubChem (CID 104804459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).