1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine

C10H10BrNOS — CID 106887486

IUPAC1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1-c1cscc1Br
InChIInChI=1S/C10H10BrNOS/c1-12-4-10-7(2-3-13-10)8-5-14-6-9(8)11/h2-3,5-6,12H,4H2,1H3
InChIKeyAYRBFYGDRPOZDQ-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.49
Rot. Bonds3

About 1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine

1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine (PubChem CID 106887486) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is 1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine
PubChem CID106887486
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine
SMILESCNCc1occc1-c1cscc1Br
InChIInChI=1S/C10H10BrNOS/c1-12-4-10-7(2-3-13-10)8-5-14-6-9(8)11/h2-3,5-6,12H,4H2,1H3
InChIKeyAYRBFYGDRPOZDQ-UHFFFAOYSA-N
XLogP3.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(3-phenylfuran-2-yl)methanamine
CID 106886773
1-[3-(3-chlorothiophen-2-yl)furan-2-yl]-N-methylmethanamine
CID 107360598
1-[3-(3-bromophenyl)furan-2-yl]-N-methylmethanamine
CID 106887821
1-[2-(4-bromothiophen-3-yl)-5-chlorophenyl]-N-methylmethanamine
CID 79601651
1-[3-(2,3-dimethylphenyl)furan-2-yl]-N-methylmethanamine
CID 106887032
N-methyl-1-[3-[2-(trifluoromethyl)phenyl]furan-2-yl]methanamine
CID 106887060
N-methyl-1-[3-(1H-pyrrol-2-yl)furan-2-yl]methanamine
CID 106888309
N-methyl-1-[3-[4-(trifluoromethyl)phenyl]furan-2-yl]methanamine
CID 106886792
N-methyl-1-(3-pyridin-2-ylfuran-2-yl)methanamine
CID 106887188
1-[3-(2-chloro-4-fluoro-5-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 106888982
1-[3-(3-fluoro-4-methylphenyl)furan-2-yl]-N-methylmethanamine
CID 106887791
1-[5-(2-bromofuran-3-yl)-1,3,4-thiadiazol-2-yl]-N-methylmethanamine
CID 106856382

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine (CID 106887486) is 1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine is CNCc1occc1-c1cscc1Br.
What is the InChIKey of 1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine?
The InChIKey is AYRBFYGDRPOZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c1-12-4-10-7(2-3-13-10)8-5-14-6-9(8)11/h2-3,5-6,12H,4H2,1H3.
What are the key properties of 1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine?
1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine has a molecular weight of 272.17 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-bromothiophen-3-yl)furan-2-yl]-N-methylmethanamine is sourced from PubChem (CID 106887486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).